bluuebunny/crossref_metadata_2025_split huggingface dataset:
Selective Control of Phases and Electronic Structures of Monolayer TaTe2
Authors: Feng Runfa , Wang Wei , Bao Changhua , Zhang Zichun , Wang Fei , Zhang Hongyun , Yao Junjie , Xu Yong , Yu Pu , Ji Shuai‐Hua , Si Chen , Zhou Shuyun 
Published: August 2023

AbstractTransition metal dichalcogenide (TMDC) films exhibit rich phases and superstructures, which can be controlled by the growth conditions as well as post‐growth annealing treatment. Here, the selective growth of monolayer TaTe2 films with different phases as well as superstructures using molecular beam epitaxy (MBE) is reported. Monolayer 1H‐TaTe2 and 1T‐TaTe2 films can be selectively controlled by varying the growth temperature, and their different electronic structures are revealed through the combination of angle‐resolved photoemission spectroscopy measurements (ARPES) and first‐principles calculations. Moreover, post‐growth annealing of the 1H‐TaTe2 film further leads to a transition from a superstructure to a new 2 × 2 superstructure, where two gaps are observed in the electronic structure and persist up to room temperature. First‐principles calculations reveal the role of the phonon instability in the formation of superstructures and the effect of local atomic distortions on the modified electronic structures. This work demonstrates the manipulation of the rich phases and superstructures of monolayer TaTe2 films by controlling the growth kinetics and post‐growth annealing.
A New Mars‐van Krevelen Mechanism for CO Oxidation on a Ti‐Decorated MXene
Authors: Zhang Xilin , Peng Qianqian , Chen Lu , Lu Zhansheng , Yang Zongxian , Hermansson Kersti 
Published: August 2023

AbstractFirst‐principles computations are performed to investigate the catalytic oxidation of CO on a Ti‐decorated Cr2TiC2O2 MXene monolayer, through comprehensive analysis of charge transfer, electronic density of states, and charge density difference of the interacting systems. By comparing the reaction energy barriers, it is found that, rather than the traditional Langmuir–Hinshelwood, Eley–Rideal, and Mars‐van Krevelen (MvK) mechanisms, the CO oxidation favours a new variant of the MvK mechanism, in which the anchored Ti atom activates the surface oxygen to spill over from the substrate and take part in the CO oxidation. This work highlights the importance of activating the surface oxygen atoms of MXene by foreign metal atoms to improve the catalytic activity, and suggests that further studies into the new MvK mechanism for CO oxidation may prove worthwhile.
Reconfigurable Transmission‐Reflection‐Integrated Coding Metasurface for Full‐Space Electromagnetic Wavefront Manipulation
Authors: Yin Tao , Ren Jian , Zhang Bing , Li Puchu , Luan Yuchen , Yin Yingzeng 
Published: August 2023

AbstractReconfigurable metasurfaces exhibit the capability of flexibly controlling electromagnetic (EM) waves, and the real‐time manipulation of tailored EM wavefront in full‐space is one of the steadily increasing interests. This paper proposes a reconfigurable transmission‐reflection‐integrated (TRI) coding metasurface, combining the functionalities of reconfigurable transmission and reflection metasurfaces. The meta‐particle is composed of a multilayer structure integrated with three positive‐intrinsic‐negative (PIN) diodes. By dynamically controlling the states of these diodes with the direct‐current (DC) bias voltage from a field‐programmable‐gate‐array (FPGA), meta‐particles achieve switching between transmission mode and reflection mode and independently modulate phase response. Metasurfaces can manipulate the reflected and transmitted wavefront by array encoding, allowing for full‐space control of the EM wavefront. Additionally, this paper demonstrates various functions implemented on this metasurface, including mode switching, beam scanning, shaping, focusing, and spatial scattering. As a proof of concept, a metasurface array prototype is fabricated and experimented. The simulation and measurement results agree well, confirming the effective ability of reconfigurable TRI metasurfaces to manipulate EM waves throughout full‐space. The proposed reconfigurable TRI coding metasurface opens the door for flexible wavefront control in the full‐space domain, with broad application prospects in areas such as microwave imaging, EM stealth, and smart radomes.
Perovskite Relaxor‐Dependent Contributions to Piezoelectric Power Generation of Multiple PZT Tape‐Based Cantilever Structures at Nonresonant Frequency
Authors: Kim Byeong Kon , Park Kwan Sik , Key Sung Hun , Cho Yong Soo 
Published: August 2023

AbstractPiezoelectric energy harvesters based on Pb(Zr0.5Ti0.5)O3 (PZT) ceramics have been extensively studied for various low‐power applications. Herein, unprecedented multiple‐harvester structures with record‐breaking performance are proposed for targeting nonresonant‐frequency or extremely low‐frequency applications. Exceptional combinations of PZT with three different relaxor materials, namely, Pb(Co1/3Nb2/3)O3 (PCN), Pb(Ni1/3Nb2/3)O3 (PNN), and Pb(Zn1/3Nb2/3)O3 (PZN), are systematically investigated in terms of their structural changes and piezoelectricity. Following the optimization of the PCN–PZT, PNN–PZT, and PZN–PZT systems in terms of piezoelectricity and power generation, a few device structures are designed using the advantages of each system. For example, the highest g31 composition of 0.2PCN–0.8PZT is combined with the highest d31 of 0.4PZN–0.6PZT to maximize the power generation in the two‐parallel‐tape structure. Multilayer harvester structures with up to four layers are also evaluated to correlate the enhanced voltage and current with the layer thickness and effective area for surface‐charge polarization. The four‐layer 0.4PZN‐0.6PZT unimorph cantilever demonstrates exceptional energy‐harvesting performance of ≈535.9 µW, corresponding to the record power density of ≈10 mW cm−2 g−2 Hz−1 at 2 Hz. The outstanding outcome is believed to be a benchmark for various nonresonant‐frequency applications.
Highly Ordered Hierarchical Porous Single‐Atom Fe Catalyst with Promoted Mass Transfer for Efficient Electroreduction of CO2
Authors: Jia Chen , Zhao Yong , Song Shuang , Sun Qian , Meyer Quentin , Liu Shiyang , Shen Yansong , Zhao Chuan 
Published: August 2023

AbstractElectrocatalysts are crucial to drive the electrochemical carbon dioxide reduction reaction (CO2RR) which lower the energy barrier, tune the intricate reaction pathways and suppress competitive side‐reaction. Beyond the efficient active sites and advantageous local environment, a rapid mass transfer ability is also crucial for the catalyst design. However, it is rare that research has been done to investigate in detail the mass transfer process in CO2RR, and expose the underlying relationship between mass transfer and final performance. Here, a single‐atom Fe‐N‐C catalyst is shown with a highly ordered porous substrate containing hierarchical micropores, mesopores, and macropores. Such a delicate porous structure significantly facilitates the mass transfer process toward the isolated Fe sites, achieving excellent CO2RR performance, especially in the limited mass transfer region in a H‐cell with a maximum CO partial current density of ‐19 mA cm−2. Operando electrochemical impedance spectroscopy and relevant distributed relaxation times analysis reveal the rapidly decreased mass transfer resistance with the increase of reduction potential. The Lattice Boltzmann method with Discrete Element method (LBM‐DEM) simulations are further performed to exhibit the origin of enhanced CO2RR performance from the facilitated gas diffusion process.
Impact of work schedule characteristics on teacher mental health and burnout symptoms while remote working
Authors: Cavallari Jennifer M. , Garza Jennifer L. , Charamut Natalie R. , Szarka Cheyenne , Perry Spencer D. , Laguerre Rick A. , Sanetti Lisa M. H. , Dugan Alicia G. 
Published: August 2023

AbstractBackgroundDuring the COVID‐19 pandemic, teachers quickly shifted to remote teaching with many teachers experiencing increased work demands with limited resources, affecting both mental health and work.MethodsWithin a cross‐sectional study, we evaluated the relationship between one type of work demand, non‐standard work schedule characteristics, and depressive and burnout symptoms in kindergarten through 8th grade U.S. teachers working remotely in May 2020. We further assessed the impact of COVID‐19 and work resources. Work schedule characteristics were self‐assessed across six domains on a 5‐point frequency scale from always (1) to never (5). We used multilevel Poisson models to calculate prevalence ratios (PRs) and 95% confidence intervals (CIs).ResultsIn fully adjusted models, frequently working unexpectedly was associated with a higher prevalence of depressive symptoms (PR = 1.18, 95% CI = 1.07–1.31, p < 0.01), high emotional exhaustion (PR = 1.17, 95% CI = 1.05–1.30, p < 0.01), and high depersonalization (PR = 1.40, 95% CI = 1.02–1.92, p = 0.03). Remote work resources were significantly associated with a lower prevalence of depressive symptoms (PR = 0.88, 95% CI = 0.79–0.98, p = 0.02). There was a linear association between low coworker support and a low sense of personal accomplishment (PR = 0.68, 95% CI = 0.53–0.87, p < 0.01).ConclusionsFrequently having to work unexpectedly while remote teaching was associated with symptoms of depression and burnout during the COVID‐19 pandemic. Workplaces should support predictable working times to lessen the disruption caused by unexpected work to promote worker well‐being.
Prospective associations of psychosocial work factors with sickness absence spells and duration: Results from the French national working conditions survey
Authors: Bertrais Sandrine , Pineau Elodie , Niedhammer Isabelle 
Published: August 2023

AbstractBackgroundSome psychosocial work factors are associated with sickness absence, however little information is available on the associations of various psychosocial work factors and multiple exposures with sickness absence spells and duration, and gender differences.MethodsData were from the French working conditions survey conducted on a nationally representative sample of the working population. The study sample included 17,437 employees (7292 men, 10,145 women) followed from 2013 to 2016 and/or from 2016 to 2019. Occupational exposures (20 psychosocial work factors, 4 working time/hours factors, 4 physical work exposures) were measured at the beginning of each follow‐up period. Hurdle and multinomial models were used to study the associations with the number of days and spells of sickness absence.ResultsMost of the psychosocial work factors predicted the risk of at least 1 day of sickness absence. Stronger associations were found among women than men for some factors. Psychosocial work factors were more likely to predict the number of spells than the number of days of sickness absence. Some physical work exposures predicted sickness absence spells and days, whereas shift work in women predicted the risk of at least 1 day of sickness absence. Dose–response associations were found between multiple psychosocial work exposures and sickness absence spells, and between multiple physical exposures and sickness absence spells and days.ConclusionComprehensive prevention policies oriented toward the whole psychosocial and physical work environment should be useful to reduce sickness absence among men and women.
Artificial intelligence for diagnostic and prognostic neuroimaging in dementia: A systematic review
Authors: Borchert Robin J. , Azevedo Tiago , Badhwar AmanPreet , Bernal Jose , Betts Matthew , Bruffaerts Rose , Burkhart Michael C. , Dewachter Ilse , Gellersen Helena M. , Low Audrey , Lourida Ilianna , Machado Luiza , Madan Christopher R. , Malpetti Maura , Mejia Jhony , Michopoulou Sofia , Muñoz‐Neira Carlos , Pepys Jack , Peres Marion , Phillips Veronica , Ramanan Siddharth , Tamburin Stefano , Tantiangco Hanz M. , Thakur Lokendra , Tomassini Alessandro , Vipin Ashwati , Tang Eugene , Newby Danielle ,   The Deep Dementia Phenotyping (DEMON) Network, Ranson Janice M. , Llewellyn David J. , Veldsman Michele , Rittman Timothy 
Published: August 2023

AbstractIntroductionArtificial intelligence (AI) and neuroimaging offer new opportunities for diagnosis and prognosis of dementia.MethodsWe systematically reviewed studies reporting AI for neuroimaging in diagnosis and/or prognosis of cognitive neurodegenerative diseases.ResultsA total of 255 studies were identified. Most studies relied on the Alzheimer's Disease Neuroimaging Initiative dataset. Algorithmic classifiers were the most commonly used AI method (48%) and discriminative models performed best for differentiating Alzheimer's disease from controls. The accuracy of algorithms varied with the patient cohort, imaging modalities, and stratifiers used. Few studies performed validation in an independent cohort.DiscussionThe literature has several methodological limitations including lack of sufficient algorithm development descriptions and standard definitions. We make recommendations to improve model validation including addressing key clinical questions, providing sufficient description of AI methods and validating findings in independent datasets. Collaborative approaches between experts in AI and medicine will help achieve the promising potential of AI tools in practice.Highlights
There has been a rapid expansion in the use of machine learning for diagnosis and prognosis in neurodegenerative disease
Most studies (71%) relied on the Alzheimer's Disease Neuroimaging Initiative (ADNI) dataset with no other individual dataset used more than five times
There has been a recent rise in the use of more complex discriminative models (e.g., neural networks) that performed better than other classifiers for classification of AD vs healthy controls
We make recommendations to address methodological considerations, addressing key clinical questions, and validation
We also make recommendations for the field more broadly to standardize outcome measures, address gaps in the literature, and monitor sources of bias
Association of type 2 diabetes mellitus with dementia‐related and non–dementia‐related mortality among postmenopausal women: A secondary competing risks analysis of the women's health initiative
Authors: Titcomb Tyler J. , Richey Phyllis , Casanova Ramon , Phillips Lawrence S. , Liu Simin , Karanth Shama D. , Saquib Nazmus , Nuño Tomas , Manson JoAnn E. , Shadyab Aladdin H. , Liu Longjian , Wahls Terry L. , Snetselaar Linda G. , Wallace Robert B. , Bao Wei 
Published: August 2023

AbstractINTRODUCTIONAlzheimer's disease (AD) and AD‐related dementias (ADRD) are leading causes of death among older adults in the United States. Efforts to understand risk factors for prevention are needed.METHODSParticipants (n = 146,166) enrolled in the Women's Health Initiative without AD at baseline were included. Diabetes status was ascertained from self‐reported questionnaires and deaths attributed to AD/ADRD from hospital, autopsy, and death records. Competing risk regression models were used to estimate the cause‐specific hazard ratios (HRs) and 95% confidence intervals (CIs) for the prospective association of type 2 diabetes mellitus (T2DM) with AD/ADRD and non‐AD/ADRD mortality.RESULTSThere were 29,393 treated T2DM cases and 8628 AD/ADRD deaths during 21.6 (14.0–23.5) median (IQR) years of follow‐up. Fully adjusted HRs (95% CIs) of the association with T2DM were 2.94 (2.76–3.12) for AD/ADRD and 2.65 (2.60–2.71) for the competing risk of non‐AD/ADRD mortality.DISCUSSIONT2DM is associated with AD/ADRD and non‐AD/ADRD mortality.Highlights
Type 2 diabetes mellitus is more strongly associated with Alzheimer's disease (AD)/AD and related dementias (ADRD) mortality compared to the competing risk of non‐AD/ADRD mortality among postmenopausal women.
This relationship was consistent for AD and ADRD, respectively.
This association is strongest among participants without obesity or hypertension and with younger age at baseline, higher diet quality, higher physical activity, higher alcohol consumption, and older age at the time of diagnosis of type 2 diabetes mellitus.
Benzotriazole‐Based 3D Four‐Arm Small Molecules Enable 19.1 % Efficiency for PM6 : Y6‐Based Ternary Organic Solar Cells
Authors: Li Xiangyu , Tang Ailing , Wang Helin , Wang Zongtao , Du Mengzhen , Guo Qiang , Guo Qing , Zhou Erjun 
Published: August 2023

AbstractA third component featuring a planar backbone structure similar to the binary host molecule has been the preferred ingredient for improving the photovoltaic performance of ternary organic solar cells (OSCs). In this work, we explored a new avenue that introduces 3D‐structured molecules as guest acceptors. Spirobifluorene (SF) is chosen as the core to combine with three different terminal‐modified (rhodanine, thiazolidinedione, and dicyano‐substituted rhodanine) benzotriazole (BTA) units, affording three four‐arm molecules, SF‐BTA1, SF‐BTA2, and SF‐BTA3, respectively. After adding these three materials to the classical system PM6 : Y6, the resulting ternary devices obtained ultra‐high power‐conversion efficiencies (PCEs) of 19.1 %, 18.7 %, and 18.8 %, respectively, compared with the binary OSCs (PCE=17.4 %). SF‐BTA1‐3 can work as energy donors to increase charge generation via energy transfer. In addition, the charge transfer between PM6 and SF‐BTA1‐3 also acts to enhance charge generation. Introducing SF‐BTA1‐3 could form acceptor alloys to modify the molecular energy level and inhibit the self‐aggregation of Y6, thereby reducing energy loss and balancing charge transport. Our success in 3D multi‐arm materials as the third component shows good universality and brings a new perspective. The further functional development of multi‐arm materials could make OSCs more stable and efficient.
Balancing Interfacial Reactions through Regulating p‐Band Centers by an Indium Tin Oxide Protective Layer for Stable Zn Metal Anodes
Authors: Meng Yahan , Wang Mingming , Xu Jingwen , Xu Kui , Zhang Kai , Xie Zehui , Zhu Zhengxin , Wang Weiping , Gao Pengfei , Li Xiangyang , Chen Wei 
Published: August 2023

AbstractMetallic zinc (Zn) is considered as one of the most attractive anode materials for the post‐lithium metal battery systems owing to the high theoretical capacity, low cost, and intrinsic safety. However, the Zn dendrites and parasitic side reaction impede its application. Herein, we propose a new principle of regulating p‐band center of metal oxide protective coating to balance Zn adsorption energy and migration energy barrier for effective Zn deposition and stripping. Experimental results and theoretical calculations indicate that benefiting from the uniform zincophilic nucleation sites and fast Zn transport on indium tin oxide (ITO), highly stable and reversible Zn anode can be achieved. As a result, the I−Zn symmetrical cell achieves highly reversible Zn deposition/stripping with an extremely low overpotential of 9 mV and a superior lifespan over 4000 h. The Cu/I−Zn asymmetrical cell exhibits a long lifetime of over 4000 cycles with high average coulombic efficiency of 99.9 %. Furthermore, the assembled I−Zn/AC full cell exhibits an excellent lifetime for 70000 cycles with nearly 100 % capacity retention. This work provides a general strategy and new insight for the construction of efficient Zn anode protection layer.
Mechanochemical Release of Fluorophores from a “Flex‐activated” Mechanophore
Authors: Yang Fan , Geng Ting , Shen Hang , Kou Yan , Xiao Guanjun , Zou Bo , Chen Yulan 
Published: August 2023

AbstractOptical force probes that can release force‐dependent and visualized signals with minimal changes in the polymer main chains under mechanical load are highly sought after but currently limited. In this study, we introduce a flex‐activated mechanophore (FA) based on the Diels–Alder adduct of anthracene and dimethyl acetylenedicarboxylatea that exhibits turn‐on mechanofluorescence. We demonstrate that when FA is incorporated into polymer networks or in its crystalline state, it can release fluorescent anthracenes through a retro‐Diels–Alder mechanochemical reaction under compression or hydrostatic high pressure, respectively. The flex‐activated mechanism of FA is successfully confirmed. Furthermore, we systematically modulate the force delivered to the mechanophore by varying the crosslinking density of the networks and the applied macroscopic pressures. This modulation leads to incremental increases in mechanophore activation, successive release of anthracenes, and quantitative enhancement of fluorescence intensity. The exceptional potential of FA as a sensitive force probe in different bulk states is highlighted, benefiting from its unique flex‐activated mode with highly emissive fluorophore releasing. Overall, this report enriches our understanding of the structures and functions of flex‐activated mechanophores and polymeric materials.
Dual Lewis Acid‐Base Sites Regulate Silver‐Copper Bimetallic Oxide Nanowires for Highly Selective Photoreduction of Carbon Dioxide to Methane
Authors: Deng Shimao , Wang Ranhao , Feng Xuezhen , Zheng Renji , Gong Shaokuan , Chen Xihan , Shangguan Yangzi , Deng Lili , Tang Huan , Dai Hao , Duan Lele , Liu Chengyuan , Pan Yang , Chen Hong 
Published: August 2023

AbstractHighly selective photoreduction of CO2 to valuable hydrocarbons is of great importance to achieving a carbon‐neutral society. Precisely manipulating the formation of the Metal1⋅⋅⋅C=O⋅⋅⋅Metal2 (M1⋅⋅⋅C=O⋅⋅⋅M2) intermediate on the photocatalyst interface is the most critical step for regulating selectivity, while still a significant challenge. Herein, inspired by the polar electronic structure feature of CO2 molecule, we propose a strategy whereby the Lewis acid‐base dual sites confined in a bimetallic catalyst surface are conducive to forming a M1⋅⋅⋅C=O⋅⋅⋅M2 intermediate precisely, which can promote selectivity to hydrocarbon formation. Employing the Ag2Cu2O3 nanowires with abundant Cu⋅⋅⋅Ag Lewis acid‐base dual sites on the preferred exposed {110} surface as a model catalyst, 100 % selectivity toward photoreduction of CO2 into CH4 has been achieved. Subsequent surface‐quenching experiments and density functional theory (DFT) calculations verify that the Cu⋅⋅⋅Ag Lewis acid‐base dual sites do play a vital role in regulating the M1⋅⋅⋅C=O⋅⋅⋅M2 intermediate formation that is considered to be prone to convert CO2 into hydrocarbons. This study reports a highly selective CO2 photocatalyst, which was designed on the basis of a newly proposed theory for precise regulation of reaction intermediates. Our findings will stimulate further research on dual‐site catalyst design for CO2 reduction to hydrocarbons.
Commentary: Visual Cultures, Publication Technologies, and Legitimation in the Life Sciences**
Authors: Nyhart Lynn K. 
Published: August 2023

AbstractThis paper comments on five articles in the special issue “Circulating Images in the Life Sciences.” It sees the papers as unified by two themes. The first is their attention to the processes of legitimation. The second is the embedding of the images in textual cultures, which changed over time from the mid‐nineteenth century to the very recent past, most notably with the recent advent of digital culture.