bluuebunny/crossref_metadata_2025 huggingface dataset:
In vitro
resensitization of multidrug-resistant clinical isolates of
Enterococcus faecium
and
E. faecalis
through phage-antibiotic synergy
Authors: Ghatbale Pooja , Sah Govind Prasad , Dunham Sage , Khong Ethan , Blanc Alisha , Monsibais Alisha , Garcia Andrew , Schooley Robert T. , Cobián Güemes Ana G. , Whiteson Katrine , Pride David T.
Published: December 2024

Bacteriophages are an increasingly attractive option for the treatment of antibiotic-resistant infections, but their efficacy is difficult to discern due to the confounding effects of antibiotics. Phages are generally delivered in conjunction with antibiotics, and thus, when patients improve, it is unclear whether the phages, antibiotics, or both are responsible. This question is particularly relevant for enterococcus infections, as limited data suggest phages might restore antibiotic efficacy against resistant strains. Enterococci can develop high-level resistance to vancomycin, a primary treatment. We assessed clinical and laboratory isolates of
Enterococcus faecium
and
Enterococcus faecalis
to determine whether we could observe synergistic interactions between phages and antibiotics. We identified synergy between multiple phages and antibiotics including linezolid, ampicillin, and vancomycin. Notably, antibiotic susceptibility did not predict synergistic interactions with phages. Vancomycin-resistant isolates (
n
= 6) were eradicated by the vancomycin-phage combination as effectively as vancomycin-susceptible isolates (
n
= 2). Transcriptome analysis revealed significant gene expression changes under antibiotic-phage conditions, especially for linezolid and vancomycin, with upregulated genes involved in nucleotide and protein biosynthesis and downregulated stress response and prophage-related genes. While our results do not conclusively determine the mechanism of the observed synergistic interactions between antibiotics and phages, they do confirm and build upon previous research that observed these synergistic interactions. Our work highlights how using phages can restore the effectiveness of vancomycin against resistant isolates. This finding provides a promising, although unexpected, strategy for moving forward with phage treatments for vancomycin-resistant
Enterococcus
infections.
Complete genome sequence of lytic bacteriophage BAU.Micro_SLP-22 infecting avian
Salmonella
spp.
Authors: Kallol Md. Arefin , Khan Mohammad Ferdousur Rahman , Alam Jahangir , Rahman Md. Bahanur , Rahman Marzia
Published: December 2024

A lytic bacteriophage, BAU.Micro_SLP-22, was isolated from drain water in search of bio-controlling agents against avian salmonellosis. The phage genome is comprised of 59,738 bp with 56.96% guanine–cytosine content, encoding 81 protein-coding genes containing no transfer RNAs, antibiotic resistance, virulence, temperate marker, and clustered regularly interspaced short palindromic repeat coding sequences.
Comparative analysis of the human microbiome from four different regions of China and machine learning-based geographical inference
Authors: Lei Yinlei , Li Min , Zhang Han , Deng Yu , Dong Xinyu , Chen Pengyu , Li Ye , Zhang Suhua , Li Chengtao , Wang Shouyu , Tao Ruiyang
Published: December 2024

The human microbiome, the community of microorganisms that reside on and inside the human body, is critically important for health and disease. However, it is influenced by various factors and may vary among individuals residing in distinct geographic regions. In this study, 220 samples, consisting of sterile swabs from palmar skin and oral and nasal cavities were collected from Chinese Han individuals living in Shanghai, Chifeng, Kunming, and Urumqi, representing the geographic regions of east, northeast, southwest, and northwest China. The full-length 16S rRNA gene of the microbiota in each sample was sequenced using the PacBio single-molecule real-time sequencing platform, followed by clustering the sequences into operational taxonomic units (OTUs). The analysis revealed significant differences in microbial communities among the four regions.
Cutibacterium
was the most abundant bacterium in palmar samples from Shanghai and Kunming,
Psychrobacter
in Chifeng samples, and
Psychrobacillus
in Urumqi samples. Additionally,
Streptococcus
and
Staphylococcus
were the dominant bacteria in the oral and nasal cavities. Individuals from the four regions could be distinguished and predicted based on a model constructed using the random forest algorithm, with the predictive effect of palmar microbiota being better than that of oral and nasal cavities. The prediction accuracy using hypervariable regions (V3-V4 and V4-V5) was comparable with that of using the entire 16S rRNA. Overall, our study highlights the distinctiveness of the human microbiome in individuals living in these four regions. Furthermore, the microbiome can serve as a biomarker for geographic origin inference, which has immense application value in forensic science.

IMPORTANCE

Microbial communities in human hosts play a significant role in health and disease, varying in species, quantity, and composition due to factors such as gender, ethnicity, health status, lifestyle, and living environment. The characteristics of microbial composition at various body sites of individuals from different regions remain largely unexplored. This study utilized single-molecule real-time sequencing technology to detect the entire 16S rRNA gene of bacteria residing in the palmar skin, oral, and nasal cavities of Han individuals from four regions in China. The composition and structure of the bacteria at these three body sites were well characterized and found to differ regionally. The results elucidate the differences in bacterial communities colonizing these body sites across different regions and reveal the influence of geographical factors on human bacteria. These findings not only contribute to a deeper understanding of the diversity and geographical distribution of human bacteria but also enrich the microbiome data of the Asian population for further studies.
Simulating a travel-related origin of
Candida auris
in New York–New Jersey
Authors: Verma Rita R. , Kiegle Edward , Keyel Alexander C. , Chaturvedi Sudha , Chaturvedi Vishnu
Published: December 2024

Candida auris
first appeared in the United States in 2013 in New York–New Jersey (NY-NJ) and led to an unprecedented outbreak since 2016. We hypothesized
C. auris
’ introduction to NY-NJ was not a random event but related to travel patterns between South Asia and NY-NJ. New York City is a US hub for international passengers, including those from South Asia. We tested the hypothesis by simulating introductions to NY-NJ with a Monte Carlo simulation based on travel from South Asia, proportion of US population in NY-NJ, proportion of hospitals in NY-NJ, and finally, proportion of all travelers entering the United States through NY-NJ. The
C. auris
outbreak occurred during increasing travel and trade, and South Asia travel routes predict the distribution of early
C. auris
cases in NY-NJ. The local mobility network within hospitals and extended stay healthcare facilities were also relevant in the spread of
C. auris
. Our observations and simulations link travel patterns to
C. auris
origin and spread and warrant further investigations for understanding the continued spread of the pathogen.

IMPORTANCE

Candida auris
is an emerging fungal pathogen, with resistance to several antifungal drugs. Serious
C. auris
infections affect hospitalized patients and residents of long-term care facilities, although the pathogen can also be present on a healthy individual’s skin. Many studies have shown international introductions of
C. auris
to the United States. Here, we present a simulation that supports the hypothesis that the earlier introductions of
C. auris
in the New York–New Jersey area are not random but related to travel networks.
Mycobiome analyses of critically ill COVID-19 patients
Authors: Weaver Danielle , Gago Sara , Bassetti Matteo , Giacobbe Daniele Roberto , Prattes Juergen , Hoenigl Martin , Reizine Florian , Guegan Hélène , Gangneux Jean-Pierre , Bromley Michael John , Bowyer Paul
Published: December 2024

Coronavirus disease 2019 (COVID-19)-associated pulmonary aspergillosis (CAPA) is a life-threatening complication in patients with severe COVID-19. Previously, acute respiratory distress syndrome in patients with COVID-19 has been associated with lung fungal dysbiosis, evidenced by reduced microbial diversity and
Candida
colonization. Increased fungal burden in the lungs of critically ill COVID-19 patients is linked to prolonged mechanical ventilation and increased mortality. However, specific mycobiome signatures associated with severe COVID-19 in the context of survival and antifungal drug prophylaxis have not yet been determined, and such knowledge could have an important impact on treatment. To understand the composition of the respiratory mycobiome in critically ill COVID-19 patients with and without CAPA and the impact of antifungal use in patient outcome, we performed a multinational study of 39 COVID-19 patients in intensive care units (ICUs). Respiratory mycobiome was profiled using internal transcribed spacer 1 sequencing, and
Aspergillus fumigatus
burden was further validated using quantitative PCR. Fungal communities were investigated using alpha diversity, beta diversity, taxa predominance, and taxa abundances. Respiratory mycobiomes of COVID-19 patients were dominated by
Candida
and
Aspergillus
. There was no significant association with corticosteroid use or CAPA diagnosis and respiratory fungal communities. Increased
A. fumigatus
burden was associated with mortality and, the use of azoles at ICU admission was linked with an absence of
A. fumigatus
. Our findings suggest that mold-active antifungal treatment at ICU admission may be linked with reduced
A. fumigatus-
associated mortality in severe COVID-19. However, further studies are warranted on this topic.

IMPORTANCE

Invasive fungal infections are a serious complication affecting up to a third of patients with severe COVID-19. Nevertheless, our understanding of the fungal communities in the lungs during critically ill COVID-19 remains limited. Evidence suggests a higher fungal burden is associated with prolonged ventilation and higher mortality, although the particular organisms responsible for this link are unclear. Antifungal prophylaxis may be beneficial for reducing the burden of fungal co-infections in COVID-19 intensive care. However, the composition of the fungal microbiome in severe COVID-19 in relation to prophylactic antifungals, as well as how this is associated with survival outcomes, is yet to be studied. Our study provides insights into the lung fungal microbiome in severe COVID-19 and has found antifungal treatment to be associated with lower
Aspergillus fumigatus
burden and that higher levels of this pathogen are associated with mortality. Therefore, our study suggests mold-active antifungal prophylaxis may be beneficial in severe COVID-19.
Screening length of a heavy quark–antiquark pair in non-commutative plasma
Authors: Wu Ping-ping , Zhu Xiangrong , Zhang Zi-qiang
Published: December 2024

We investigate the screening length of a heavy quark–antiquark (

$$Q{\bar{Q}}$$

Q

Q

¯

) pair in non-commutative

$${\mathcal {N}}=4$$

N
=
4

super Yang–Mills plasma at strong coupling. We perform the analysis by computing the Wilson loop in a boosted background and consider the axis of the

$$Q{\bar{Q}}$$

Q

Q

¯

pair along different directions. It turns out that the inclusion of non-commutativity increases the screening length, thus enhancing the binding energy of the

$$Q{\bar{Q}}$$

Q

Q

¯

pair. Furthermore, the presence of non-commutativity reduces quarkonium dissociation, in agreement with previous findings of the imaginary potential and entropic force.
Resolution of (heavy) primaries in ultra high energy cosmic rays
Authors: Bortolato Blaž , Kamenik Jernej F. , Tammaro Michele
Published: December 2024

Measurements of ultra-high energy cosmic rays (UHECR) suggest a complex composition with significant contributions from heavy nuclei at the highest energies. We systematically explore how the selection and number of primary nuclei included in the analysis impact the inferred UHECR mass composition. Introducing a distance measure in the space of

$$X_\textrm{max}$$

X
max

distribution moments, we demonstrate that limiting the analysis to a few primaries can introduce significant biases, particularly as observational data improves. We provide lists of primaries approximately equidistant in the new measure, which guaranty unbiased results at given statistical confidence. Additionally, we explore consistent inclusion of nuclei heavier than iron and up to plutonium, deriving first observational upper bounds on their contributions to UHECR with the Pierre Auger Open Data.
Nonlinear Vibration and Chaos Analysis of Hyperelastic Combined Cantilever Plates
Authors: Wang Zhen , Yuan Xuegang , Xu Jie , Lv Na
Published: December 2024

In this work, the nonlinear forced vibration response of a hyperelastic combined cantilever plate is investigated. The plate consists of two irregular quadrilaterals and is under a uniformly distributed load perpendicular to the midplane. First, two irregular quadrilateral regions are projected into two rectangular regions by the iso-parametric element transformation. Then the nonlinear ordinary differential governing equations is obtained by the thin-plate theory, and Lagrange variational principle. In addition, the chaotic behavior is analyzed by the bifurcation diagram, Poincaré map, phase diagram, and maximum Lyapunov exponent. The results indicate that the amplitude and frequency of the external excitation have a significant effect on the nonlinear vibration, each of which can excite the chaotic response. Furthermore, it is found that the varying geometric parameters generate a larger chaotic region compared to the varying external excitation parameters. In summary, this study provides theoretical references for the excitation strategy and structural design of hyperelastic combined cantilever plates.
Does Bitcoin Add Any Value To The Investment Portfolios In Emerging Markets? A Case From Tehran Stock Exchange
Authors: Dastkhan Hossein , Saber Hossein
Published: December 2024

In this study, we investigate how adding Bitcoin can influence the investment portfolios. For this purpose, we consider a portfolio including Bitcoin and the five major sector indices of the Tehran Stock Exchange (TSE). At first, the asset returns are predicted through an estimation model based on higher moments. In the second step, the properties of Bitcoin in the face of other assets in a portfolio are studied by the asymmetric dynamic conditional correlation (ADCC) model. Then, the optimal weights in the portfolios are estimated. Accordingly, we used four portfolio optimization models with different objective functions, including a hybrid function of the higher moments, predicted risk from the ADCC model, and maximizing Sharpe and Sortino ratios. The out-of-sample results showed the relative efficiency of the proposed model in predicting the asset returns in Tehran Stock Exchange. In addition, the results of the ADCC model showed that Bitcoin plays a risk-hedging role for the pharmaceutical and banking sectors in TSE. We also know Bitcoin as a safe haven for the banking, petrochemical, metals, automobile, and pharmaceutical sectors. The results of portfolio selection also prove the effectiveness of adding Bitcoin with a maximum weight of 10% in the investment portfolios.
Polyhedral Clinching Auctions for Indivisible Goods
Authors: Hirai Hiroshi , Sato Ryosuke
Published: December 2024

In this study, we propose a polyhedral clinching auction for indivisible goods, which has so far been studied for divisible goods. As in the divisible setting by Goel et al. (2015), our mechanism enjoys incentive compatibility, individual rationality, and Pareto optimality, and works with polymatroidal environments. A notable feature of this mechanism for the indivisible setting is that the entire procedure can be conducted in time polynomial of the number of buyers and goods. Moreover, we show additional efficiency guarantees, recently established by Sato for the divisible setting: the liquid welfare (LW) of our mechanism achieves more than half of the optimal LW, and the social welfare is more than the optimal LW.
Software Security Analysis in 2030 and Beyond: A Research Roadmap
Authors: Böhme Marcel , Bodden Eric , Bultan Tevfik , Cadar Cristian , Liu Yang , Scanniello Giuseppe
Published: December 2024

As our lives, our businesses, and indeed our world economy become increasingly reliant on the secure operation of many interconnected software systems, the software engineering research community is faced with unprecedented research challenges, but also with exciting new opportunities. In this roadmap paper, we outline our vision of Software Security Analysis for the systems of the future. Given the recent advances in generative AI, we need new methods to assess and maximize the security of code co-written by machines. As our systems become increasingly heterogeneous, we need practical approaches that work even if some functions are automatically generated, e.g., by deep neural networks. As software systems depend evermore on the software supply chain, we need tools that scale to an entire ecosystem. What kind of vulnerabilities exist in future systems and how do we detect them? When all the shallow bugs are found, how do we discover vulnerabilities hidden deeply in the system? Assuming we cannot find all security flaws, how can we nevertheless protect our system? To answer these questions, we start our roadmap with a survey of recent advances in software security, then discuss open challenges and opportunities, and conclude with a long-term perspective for the field.
Decoy Effect in Search Interaction: Understanding User Behavior and Measuring System Vulnerability
Authors: Chen Nuo , Liu Jiqun , Fang Hanpei , Luo Yuankai , Sakai Tetsuya , Wu Xiao-Ming
Published: December 2024

This study addresses (1) the influence of the decoy effect, a cognitive bias where the presence of an inferior item alters preferences between two options, on users’ search interactions and (2) the measurement of information retrieval systems’
vulnerability
to the decoy effect.

1

From the perspective of user behavior, this study investigates the influence of the decoy effect in information retrieval (IR) by examining how decoy results affect users’ interaction on search engine result pages (SERPs), particularly in terms of click-through likelihood, browsing dwell time, and perceived document usefulness. We conducted an experiment based upon regression analysis on user interaction logs from three user study datasets which in total encompass 24 topics, 841 unique search sessions, and 2,685 queries. The findings indicate that decoys significantly increase the likelihood of document clicks and perceived usefulness. To investigate whether the influence of the decoy varies across different levels of task difficulty and user knowledge, we ran an additional experiment on one of the three datasets, which encompasses 6 topics, 166 search sessions and 652 queries. The results indicate that when the task is less challenging, users are more likely to click on a document with a decoy. Additionally, they spend more time on the target document and assign it a higher usefulness score. Furthermore, users with lower knowledge levels about the topic tend to give higher usefulness ratings to the target document.

Regarding IR system evaluation, this study provides empirical insights into measuring the vulnerability of text retrieval models to potential decoy effect. An evaluation metric, namely DEcoy Judgement and Assessment VUlnerability (DEJA-VU), is proposed to evaluate the possibility of a retrieval model ranking results in a way that could trigger decoy biases. The experiments on the Text REtrieval Conference (TREC) 19 Deep Learning (DL) passage retrieval task and the TREC 20 DL passage retrieval task demonstrate that ColBERT and SPLADE show higher relevance-oriented retrieval effectiveness while also displaying lower vulnerability to decoy effect.

Overall, this work advances the understanding of decoy effect, a well-established concept in cognitive psychology and behavioral economics, in a novel application field (i.e., Information Retrieval). It contributes to modeling users’ search behavior in the context of cognitive biases, as well as assessment of the vulnerability of systems and ranking algorithms to the decoy effect.
Flash-oriented Coded Storage: Research Status and Future Directions
Authors: Li Zhiyue , Zhang Guangyan , Wang Yang
Published: December 2024

Flash-based solid-state drives (SSDs) have been widely adopted in various storage systems, manifesting better performance than their forerunner HDDs. However, the characteristics of flash media post some drawbacks when deploying SSD-based storage systems. First, flash media have limited program/erase cycles, making them vulnerable to media failures. Second, SSD foreground I/Os can suffer from inconsistent performance due to interference from background operations like garbage collection (GC). The major solution to the above problems is to introduce data redundancy. Redundant data can not only detect raw bit errors and recover lost data but also enable I/O scheduling to sidestep SSDs that are under performance degradation.

Compared with multi-replica, data coding is a more space-efficient way to provide redundancy. However, it is more challenging to simultaneously achieve low access latency, consistent performance, and fast recovery. This article examines the design of coded storage in existing storage systems, with a focus on flash storage systems, and how they address these challenges. The coded storage techniques are categorized into in-device coding, cross-device coding, and cross-machine coding. They are designed for different scenarios and purposes but share some design rationales in common. For each type of coded storage, we begin by presenting the theoretical bases, followed by an overview of how existing studies address the performance and endurance issues of coded storage from a systemic perspective. Finally, we review the history of coded storage, list several key insights from existing works, and speculate some promising directions for flash-oriented coded storage systems.
Modified Interlayer As a Polysulfide Inhibitor for Li-S Batteries
Authors: Kim Doohun
Published: December 2024

Lithium-sulfur batteries (LSBs) are a promising technology for electrochemical energy storage, particularly for portable electronics and electric vehicles due to their high theoretical energy density and cost-effectiveness of sulfur. However, they face limitations in rate capability and lifespan due to the sluggish conversion kinetics of sulfur and the soluble lithium polysulfide (LiPS) intermediate. In this presentation, we will discuss various approaches that utilize modified interlayers, especially mesoporous materials, to overcome the challenges associated with lithium-sulfur batteries (LSBs) and enhance their performance. These approaches have been proposed as potential solutions to improve the efficiency and overall capabilities of LSBs.
Electrochemistry and Cycling Dependent Structural Analysis of High and Low Mn Based Disordered Rocksalt Cathodes for Lithium-Ion Batteries
Authors: Patil Shripad , Liang Zhilin , Kaeli Emma , Marques Otavio , Weker Johanna Nelson , Stone Kevin , Chueh William C. , Nanda Jagjit
Published: December 2024

Cobalt-free cation-disordered rocksalt (DRX) materials have recently emerged as a class of next-generation high-capacity cathodes for lithium-ion batteries which can incorporate earth abundant, low-cost elements such as Mn and Ti. One of the reasons for their enhanced performance is due to the presence of percolating lithium rich clusters which enable facile lithium transport. Structural phenomena such as cation short-range ordering and phase transformations in DRX materials at small length scales are known to dramatically impact local Li clusters and hence the Li diffusion channels, Li transport, and hence electrochemical properties of DRX cathodes. Recently, Mn-rich DRX materials (Mn/Ti ratio >1) have shown to phase transform upon extended cycling, resulting in improved capacity and rate performance in these materials. Therefore, it is crucial to understand the nature of the DRX structure as a function of cycling to maximize the performance in DRX materials. Interestingly, these phase changes are not observed in DRX with a low Mn content (Mn/Ti ratio <1). Keeping this in mind, the goal of this research is to understand the structural changes during electrochemical cycling and investigate the differences in electrochemical properties (Li ion transport, rate capability, cycling) in high and low Mn DRX cathodes. In addition to the electrochemical characterization, a suite of material characterization techniques such as X-ray diffraction, X-ray absorption Spectroscopy, and pair distribution function analysis, are used to perform in depth cycling dependent structural analysis and compared between the high Mn and low Mn DRX compositions. Overall, this study and poster presentation will discuss key scientific insights related to the cycling induced phase transformation and electrochemical performance of Mn-Ti based DRX cathodes. Based on these results, further investigations into synthetic manipulation of the DRX structure can be performed to utilize the full potential of the newly formed phase upon cycling.
Dynamic Diagnostic Technique for Real-Time Detection Lithium Plating Using Electrochemical Harmonic Analysis
Authors: Ottakath Cholakkal Safeer Rahman , Qi Hongmei , Zhang Cheng , Kellner Quirin , Curnick Oliver
Published: December 2024

Lithium-ion batteries have transformed energy storage and are now integral to various applications, including electric vehicles. With the automotive industry increasingly demanding fast-charging capabilities, the potential risk of lithium plating during rapid charging presents a significant challenge. Hence, there is a pressing need for reliable and real time diagnostic methods to detect and address lithium plating issues. This study introduces an innovative technique, Real-time Electrochemical Harmonic Analysis (EHA), for dynamic analysis aimed at detecting the onset of lithium plating in lithium-ion batteries. EHA utilizes a unique combination of higher amplitude AC with the DC charging. The large sinusoidal current amplitudes facilitate the characterization of battery behaviour based on the harmonics derived from voltage outputs corresponding to the applied current inputs. The time-dependent variations in the sinusoidal output voltage are subjected to Fast Fourier Transformation (FFT) to obtain the harmonics. The proposed method predicts the generation of higher harmonics due to the inherently nonlinear processes within lithium-ion batteries, during the lithium plating event. The higher amplitude sinusoidal current provide a means to characterize battery behaviour by analysing harmonics derived from voltage outputs corresponding to the applied current inputs. These time-dependent variations in sinusoidal output voltage undergo Fast Fourier Transformation (FFT) to extract harmonics. The method proposed predicts the emergence of higher harmonics resulting from the inherent nonlinear processes within lithium-ion batteries, particularly during lithium plating events. This study specifically focuses on Y3 as an indicator of voltage response distortions due to the onset of lithium plating. The findings reveal that Y3 values, derived from signals in the 0.2 to 10 Hz frequency range and at 1–2C amplitude, exhibit high sensitivity in the plating region. Figure 1 illustrates the Y3 results during discharging of a hybrid cell where the cathode is composed of NMC cell anode material and the anode is lithium metal; in this context, discharging mirrors typical charging in conventional cells. It is widely acknowledged that the anode potential (here the hybrid cell voltage) drops below 0V where lithium plating is expected to occur and in Figure 1, we can observe a distinct change in the response of Y3 below 0V. These experimental findings underscore that monitoring harmonic responses during cell charging can effectively detect the early stages of lithium plating. Further validation tests are ongoing, supporting our proposal of Real-time Electrochemical Harmonic Analysis (EHA) as a promising and practical solution for enhancing the performance and safety of lithium-ion batteries in demanding applications.

Figure 1
Tailoring Surface Oxygen Environments in LiNi0.5Mn0.3Co0.2O2 Via Post-Calcination Anneal
Authors: Choy Emma P.K.L , Kaeli Emma , Kang Stephen D. , Chueh William C.
Published: December 2024

Oxygen release in layered transition metal oxide cathodes leads to changing intercalation kinetics in lithium-ion batteries. Oxygen loss behavior during extended electrochemical cycling is well understood, but tailoring the oxygen environment of pristine cathode materials to reduce oxygen release remains a challenge. In this work we perform simple 30-minute post-calcination gas treatments to systematically modify the surface of single-crystalline LiNi0.5Mn0.3Co0.2O2 (NMC532). We use two gas environments (Ar and 21% O2 in Ar) and a range of temperatures (600-800 °C) to investigate the effect of low oxygen partial pressure on pristine NMC532. Using electrochemical and X-ray techniques, we observe changes in electrochemical cycling behavior and surface and bulk structure that are monotonic with temperature for the argon annealed material, while changes in the oxygen annealed material are mostly invariant with respect to temperature. From in situ heating X-ray photoelectron spectroscopy and in situ heating X-ray absorption spectroscopy, we demonstrate the removal of surface carbon species and oxidation of transition metals in an oxygen containing environment; in an argon environment we observe transition metal reduction, consistent with oxygen release. These findings suggest 1) a simple oxygen environment anneal can remove resistive surface contaminants commonly formed during material storage, and 2) oxygen-deficient anneals can be used to systematically alter the surface oxygen environments of stoichiometric cathode materials. This can be a powerful method to understand the relationship between the surface oxygen sublattice and the kinetics of lithium intercalation.
Densifying Solid Electrolytes to Mitigate Shorting of Solid State Batteries
Authors: Liu Mengchen , Feng Shijie , Wang Shen , Lu Ershuang , Gao Junwei , Oh Jeong Woo , Song Min-Sang , Luo Jian , Liu Ping
Published: December 2024

The formation of internal short-circuits due to lithium dendrite penetration have limited the life of lithium metal all-solid-state batteries. The defects and pores present in solid electrolytes, formed during compaction, act as favorable pathways for the growth of lithium dendrites. This study introduces a modification on the Li6PS5Cl (LPSC) and facilitating densification of the LPSC pellet. Under the compaction at room temperature, the modified LPSC demonstrates a porosity of 1.7%, a substantial reduction from the porosity of 10.9% for LPSC. As a result, Li/Li symmetric cells incorporating the densified LPSC pellet exhibit up to a fourfold increase in critical current density and demonstrate remarkable stability during extended cycling at room temperature. This work points to a new direction to enable long-life solid state batteries.
Unexpected Effect of Mn Doping in Ni-Rich Layered Cathode for Advanced Lithium-Ion Batteries
Authors: Kim Min-Su , Park Geon-Tae , Sun Yang-Kook
Published: December 2024

As the demand for lithium-ion batteries (LIBs) with higher energy density, longer cycle life, and lower cost increases, the need for advanced cathode materials has become more urgent.1 To this end, doping additional elements into Ni-rich cathodes is an essential strategy for addressing the instability of the cathode material. Conventionally, Mn is a widely studied dopant owing to its abundance and significantly lower cost than that of other dopant candidates.2 However, the role of Mn doping is poorly understood, associated with unremarkable crystal structural and chemical aspects. Herein, a new role for doping Mn into Ni-rich cathodes and their effects on the microstructural aspect and crystal structure are investigated by calcining concentration gradient (CG) Li[Ni0.910Co0.079Al0.011]O2 (denoted as CG NCA92) and CG Li[Ni0.874Co0.076Al0.010Mn0.040]O2 (denoted as 4%-Mn-doped CG NCA92) cathodes.

Scanning electron microscope (SEM) image in cross-sections of 4%-Mn-doped CG NCA92 cathode particles shows much finer and elongated primary particles than the undoped cathode. High-resolution transmission electron microscopy (HR-TEM) analysis reveals the bonding of two well-ordered layered domains across the (0 1 0) plane. The two symmetrical domains share the same twin boundary at the junction of the two crystal lattices, with the atomic stacking sequence well-preserved on both sides of the twin boundary. Notably, Li+ diffusion pathways are still well-preserved on both sides of the twin boundary and aligned in a straight line to allow the smooth (de)intercalation of Li+.3 Thus, modification of the cathode crystal structure by attenuating the surface energies and producing elongated primary particles at the secondary particle surface contributed in electrochemical performance improvement. The proposed 4%-Mn-doped CG NCA92 cathode demonstrates superior cycling performance, retaining 76.5% after 1000 cycles under fast charging conditions (3 C and 45 °C) in full cell.

References:

[1] N.-Y. Park, G.-T. Park, S.-B. Kim, W. Jung, B.-C. Park, Y.-K. Sun, ACS Energy Lett. 2022,7, 2362.

[2] M. M. E. Cormier, N. Zhang, A. Liu, H. Li, J. Inglis, J. R. Dahn, J. Electrochem. Soc. 2019, 166, A2826.

[3] H. Chung, Y. Li, M. Zhang, A. Grenier, C. Mejia, D. Cheng, B. Sayahpour, C. Song,M.H. Shen, R. Huang, E. A.Wu, K.W. Chapman, S. J. Kim, Y. S. Meng, Chem. Mater. 2022, 34, 7302.
Practical Li-S Battery Design with Lean Electrolyte Using NiCo/NiCoO2 Nanoparticles as Polysulfide Mediator
Authors: Park Hyeona , Hwang Jang-Yeon
Published: December 2024

Lithium-sulfur (Li-S) batteries are promising candidates for energy storage systems that can achieve high energy density.1 However, reducing the electrolyte volume in Li-S full batteries is generally unsatisfactory due to limited electrochemical reaction of Li-S. Also, the challenges of shuttle effect and sluggish sulfur conversion reaction impede towards practical application.2 Herein, I propose a practical-level lithium-sulfur battery system by introducing a method to promote the lithium-sulfur conversion reaction and suppressed polysulfide dissolution.A noteworthy designed with NiCo / NiCoO2 nanoparticles anchored in CNTs-embedded self-standing carbon structure is manufactured as host for sulfur. Through experimental techniques and first-principle calculation, the functions of NiCo/NiCoO2 nanoparticles in carbon structure are performed as follow; (ⅰ) NiCo/NiCoO2 affords polysulfide scavenging and chemisorption ability, suppressing the shuttle effect. (ⅱ) NiCo/NiCoO2 is an efficient polysulfide mediator by giving a electrocatalytic site for the Li-S redox reaction, promoting conversion kinetics and reversibility. (ⅲ) The high conductivity of host structure and sufficient porosity in carbon structure exhibit considerable improvement in the transfer of lithium ions and electrons in Li-S batteries. Even with high sulfur loading, the nanostructured NiCo/NiCoO2 enable to have stable cycling performance with lean electrolyte using a graphite anode in full-cell batteries, showing potential as a practical battery.

A. Manthiram, Y. Fu, S.-H Chung, C Zu, Y.-S Su. Rechargeable Lithium–Sulfur Batteries. Chem Rev. 23 (2014)11751-11787.

D. Bresser, S. Passerini, B. Scrosati. Recent progress and remaining challenges in sulfur-based lithium secondary batteries – a review. Chem Commun. 49 (2013)10545-10562.
Structural and Transport Properties of Lithiated, Sodiated and Magnesiated Nanoporous TiO2
Authors: Rikhotso Blessing Nkateko , Ngoepe Phuti Esrom
Published: December 2024

Sodium and magnesium-ion batteries are among the most compelling alternatives to Li-ion batteries since both have advantages in safety and resource abundance. Efforts to develop Na-ion batteries are aimed at lowering costs compared to Li-ion batteries, while magnesium can offer higher capacities due to its divalent ion. Both are far less explored than the technologically mature lithium-ion battery, but are attracting considerable interest as the energy density limits of Li-ion batteries is reached [1,2]. Sodium benefits from known electrochemical properties, and the major difference is that the larger sodium ion puts more strain on the host lattice, leading to pulverization during cycling [3]. On the other hand, the strong electrostatic interactions between the highly polarized divalent magnesium ions and the host lattice of the electrode and usually leads to slow solid-state insertion/diffusion kinetics of magnesium ions in the lattice [4].

The current study explores the impact of charging anode TiO2 nanoporous materials with lithium, sodium and magnesium mobile ions, using a molecular dynamics based simulated amorphisation and recrystallisation approach [5]. The method was previously employed to generate nano-architectures of TiO2 [6]. Structural properties are deduced from microstructures and simulated XRDs whilst transport properties are obtained from diffusion coefficients and activation energies, over a wide range of temperatures. Microstructures of all nano-architectures depict predominance of zigzag-straight tunnels, corresponding to brookite-rutile polymorphs, which provide pathways for mobile ions. On the whole, diffusion coefficients (D) of mobile ions for all nano-architectures depict the following trend DLi> DNa > DMg. The study provides valuable insights on the extent to which nanoporous structures can expedite use of less explored but earth abundant and affordable sodium and magnesium ion batteries.

References

[1] C. Delmas, Adv. Energy Mater. (2018), 8, 1703137.

[2] H.D. Yoo, I. Shterenberg, Y. Gofer, G. Gershinsky, N. Pour, D. Aurbach, Energy Environ. Sci (2013) 6, 2265.

[3] S.-W. Kim, D.-H. Seo, G. Ceder, K. Kang, Adv. Energy Mater. (2012), 2, 710.

[4] N. Wu, Y. Yang, Q. Zhang, X. Zhang, X. Du, J. Mater. Sci, (2020), 55, 16674.

[6] M.G. Matshaba, D.C. Sayle, P.E Ngoepe, J. Phys. Chem. C, (2016), 120, 14001
A Study on Phase Changes and Ionic Conductivity Characteristics According to Doping Elements in Li6±XGe2-XMxO7 (M=Al, As, Nb)
Authors: Song Jeonghyeon , Moorthy Megala , Lee Yun-Sung
Published: December 2024

To investigate the ionic conductivity characteristics of Li₆Ge₂O₇, a structure that can exhibit ionic conductivity in oxide-based solid electrolytes, the optimal synthesis conditions were determined by adjusting factors such as sintering temperature and sintering time. Subsequently, nanoscale structural modifications were attempted through doping to synthesize Li₆₊ₓGe₂₋ₓMₓO₇ (M = Al, As, Nb; x = 0 - 0.5). The phase transitions of the synthesized structures were observed, and their ionic conductivity was evaluated. For Li₆Ge₂O₇, ionic conductivity was observed at sintering temperatures above 950°C, with a low ionic conductivity of 2.774 x 10⁻⁷ S/cm after sintering at 1050°C for 6 hours. Upon doping with different elements, it was found that Nb did not disrupt the original orthorhombic structure, whereas doping with Al and As resulted in a phase transition to a LISICON-type structure. When Al was doped at x = 0.3, the original structure was completely lost, showing a LISICON structure. In this case, the ionic conductivity increased to 4.733 x 10⁻⁶ S/cm, which is relatively higher but still considered low.
Hydrothermally Grown Dual-Phase Heterogeneous Electrocatalysts for Highly Efficient Rechargeable Metal-Air Batteries with Long-Term Stability
Authors: Kwon Sooncheol
Published: December 2024

Metal-air batteries as alternatives to the existing lithium-ion battery are becoming increasingly attractive sources of power due to their high energy-cost competitiveness and inherent safety; however, their low oxygen evolution and reduction reaction (OER/ORR) performance and poor operational stability must be overcome prior to commercialization. Herein, it is demonstrated that a novel class of hydrothermally grown dual-phase heterogeneous electrocatalysts, in which silver-manganese (AgMn) heterometal nanoparticles are anchored on top of 2D nanosheet-like nickel vanadium oxide (NiV2O6), allows an enlarged surface area and efficient charge transfer/redistribution, resulting in a bifunctional OER/ORR superior to those of conventional Pt/C or RuO2. The dual-phase NiV2O6/AgMn catalysts on the air cathode of a zinc-air battery lead to a stable discharge–charge voltage gap of 0.83 V at 50 mA cm−2, with a specific capacity of 660 mAh g−1 and life cycle stabilities of more than 146 h at 10 mA cm−2 and 11 h at 50 mA cm−2. The proposed new class of dual-phase NiV2O6/AgMn catalysts are successfully applied as pouch-type zinc-air batteries with long-term stability over 33.9 h at 10 mA cm−2.

Figure 1
Numerical Analysis of Operation Characteristics in Thermal Driven Adsorption Systems with Different Adsorbent Packing Method
Authors: Bae Kyungjin , Kwon Ohkyung
Published: December 2024

Waste heat generated from industrial processes, such as data centers, is often discarded due to its low temperature, making reuse difficult. Adsorption systems have been proposed as a solution to utilize this low-grade waste heat. These systems consist of adsorption beds, an evaporator, and a condenser, with the adsorption bed—typically comprising a fin-tube heat exchanger and adsorbents—playing a central role in system operation. The adsorbent facilitates adsorption and desorption processes, driving system functionality. Two primary methods exist for packing the adsorbent into the adsorption bed: filling the void spaces around the heat exchanger with adsorbent particles, and coating the surface of the heat exchanger fins. These different packing methods affect the heat and mass transfer characteristics of the adsorption bed and, consequently, influence the overall system performance. This study presents a numerical analysis of the operational characteristics of an adsorption system using two distinct adsorbent packing methods, and evaluates their performance. Under typical operating conditions with a heat source temperature of 80°C, the coating model demonstrated a cooling capacity of 2.05 kW, an SCP of 0.117 kW/kg, and a COP of 0.333. Compared to the packing model, the coating model achieved 41% and 61% increases in cooling capacity and COP, respectively. Notably, the SCP showed a significant improvement of 153%. These results indicate that, despite using less adsorbent, the coating model not only offers better system performance but also presents a more economical approach to adsorption system development.

Acknowledgements

This work was supported by Korea Institute of Energy Technology Evaluation and Planning(KETEP) grant funded by the Korea government(MOTIE)(No. 20202020800200, Development and demonstration of smart design platform technology for thermal energy-intensive industrial facilities).
Studying-Polymers-on-a-Chip (SPOC): Automated, High-Throughput Screening of Increased Ionic Conductivity Polymer Electrolytes.
Authors: Marufu Michell , Schwartz Johanna , Jimenez Jayvic
Published: December 2024

Advancements of solid polymer electrolytes are critical for the next generation of lithium-ion batteries within our highly energy-dependent society. Research techniques that speed up materials discovery are crucial to meet this need. Towards this end we have invented a Studying-Polymers-On-a-Chip (SPOC) platform that integrates active mixing direct ink-write 3D printing, in-situ impedance characterization and machine learning experimental planning systems. Collectively, this technology enables automated high-throughput screening of increased ionic conductivity polymer electrolytes. We report a threefold increase in ionic conductivity of polyethylene glycol (PEG) based electrolytes with the addition of silica-based fillers. We have begun work on tailoring this platform to screen Anion Exchange Membranes (AEMs) and their degradation behavior.

This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.
Coupling Solid and Soluble FePc Catalysts for Non-Aqueous Li-O2 Battery Applications
Authors: Chiu Chen-Lung , Wang Tzu-Han , Chen Jenn-Shing
Published: December 2024

The development of a bifunctional catalyst for reversible oxygen reduction reactions (ORRs) and oxygen evolution reactions (OERs) is an important challenge to promote the performance of lithium-oxygen (Li-O2) batteries. Iron phthalocyanine (FePc) complex has been considered a promising candidate for a bifunctional O2 catalyst in Li-O2 batteries due to its high catalytic activities and easy preparation. Herein, a dual mediator scheme is proposed to achieve an efficient and durable O2 electrocatalyst by coupling well-design solid and electrolyte-soluble FePc-based redox mediators (RMs). Two modes of pyridine-functional carbon support in solid/soluble FePc-based RMs including carbon multi-walled carbon nanotube (Py-MWCNT) and graphene (Py-GR) are investigated to evaluate the influences of different dual RMs on their catalytic activity and kinetics. Among the as-prepared samples, the dual solid FePc-Py-MWCNT/soluble FePc-based RM reveals the best bifunctional catalytic performance, which can be attributed to the highly efficient solid/liquid interface between Li2O2 and solution phase FePc.
Mixed-Dimensionality Heterostructures (TMDs@SWCNTs) for Gas Sensing Applications
Authors: Taoum Haifa , Florea Ileana , Sorin Costel
Published: December 2024

In today's world of technological innovation, semiconductors play a crucial role. To satisfy the escalating demand for enhanced functionalities, new concepts of mixed-dimensional heterostructure have emerged. By combining two-dimensional (2D) nanomaterials with one-dimensional (1D) nanomaterials, the resulting hybrid Van der Waals heterostructures will have improved performances due to synergistic effects.

Transition Metal Chalcogenides (TMDs) and Single-Walled Carbon Nanotubes (SWCNTs) promise enhanced performances in multiple eras, notably in gas sensing. Their unique properties, like ultra-high surface-to-volume ratio, and thermal, electrical, and mechanical stability, make them suitable for such activity. [1] [2] The purpose is to create a gas sensor that has low dimensions with superior performance in terms of sensitivity, selectivity, and stability. Gas sensors that are based on high-quality WS2@SWCNTs and MoS2@SWCNTs heterostructures were fabricated using a bottom-up dry approach, employing a sequential growth method that combines Chemical Vapor Deposition and Molecular Beam Epitaxy techniques. The as-grown materials exhibit high crystalline structures and high purity at the interfaces, as demonstrated by various characterization techniques such as Raman spectroscopy, SEM, TEM, and Photoemission Analysis techniques, which are usually challenging to achieve. Additionally, a difference in electronic properties was observed. Since the electronic properties of WS2 and MoS2 are intrinsically different, an opposite type of doping was expected where the WS2@SWCNTs have proven to be an n-type semiconductor and MoS2@SWCNTs are a p-type semiconductor. This achievement opens the door to further scientific exploration and advancement. To assess their performance, various tests, including humidity sensing, temperature, and blue light excitation, have been conducted. These tests reveal interesting stability under high temperatures and elevated relative humidity conditions, with a good response recovery.

Further measurements will be performed to evaluate the selectivity, sensibility, and ability to perform monitoring functioning of TMDs@SWCNTs nanosensors in the presence of different byproduct gas molecules.