jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: A.A.P.R. Perera | K.A.U. Madhushani | Buwanila T. Punchihewa | Anuj Kumar | Ram K. Gupta
Source: Materials (review, 2023-01-29)
Field: Materials Science — Materials Chemistry

MXene-Based Nanomaterials for Multifunctional Applications MXene is becoming a "rising star" material due to its versatility for a wide portfolio of applications, including electrochemical energy storage devices, electrocatalysis, sensors, biomedical applications, membranes, flexible and wearable devices, etc. As these applications promote increased interest in MXene research, summarizing the latest findings on this family of materials will help inform the scientific community. In this review, we first discuss the rapid evolutionary change in MXenes from the first reported M<sub>2</sub>XT<sub>x</sub> structure to the last reported M<sub>5</sub>X<sub>4</sub>T<sub>x</sub> structure. The use of systematically modified synthesis routes, such as foreign atom intercalation, tuning precursor chemistry, etc., will be further discussed in the next section. Then, we review the applications of MXenes and their composites/hybrids for rapidly growing applications such as batteries, supercapacitors, electrocatalysts, sensors, biomedical, electromagnetic interference shielding, membranes, and flexible and wearable devices. More importantly, we notice that its excellent metallic conductivity with its hydrophilic nature distinguishes MXene from other materials, and its properties and applications can be further modified by surface functionalization. MXene composites/hybrids outperform pristine MXenes in many applications. In addition, a summary of the latest findings using MXene-based materials to overcome application-specific drawbacks is provided in the last few sections. We hope that the information provided in this review will help integrate lab-scale findings into commercially viable products. MXenes ; Nanotechnology ; Supercapacitor ; Materials science ; Surface modification ; Energy storage ; Wearable computer ; Nanomaterials ; Computer science ; Engineering ; Mechanical engineering ; Electrochemistry ; Chemistry MXene and MAX Phase Materials ; Advanced Memory and Neural Computing ; Graphene and Nanomaterials Applications
Authors: Xu He | Yijing Pu | Luyao Chen | Haitao Jiang | Yan Xü | Jiankang Cao | Weibo Jiang
Source: Comprehensive Reviews in Food Science and Food Safety (review, 2023-01-01)
Field: Materials Science — Biomaterials

A comprehensive review of intelligent packaging for fruits and vegetables: Target responders, classification, applications, and future challenges Post-harvest fruits and vegetables are extremely susceptible to dramatic and accelerated quality deterioration deriving from their metabolism and adverse environmental influences. Given their vigorous physiological metabolism, monitoring means are lacking due to the extent that unnecessary waste and damage are caused. Numerous intelligent packaging studies have been hitherto carried out to investigate their potential for fruit and vegetable quality monitoring. This state-of-the-art overview begins with recent advances in target metabolites for intelligent packaging of fruits and vegetables. Subsequently, the mechanisms of action between metabolites and packaging materials are presented. In particular, the exact categorization and function of intelligent packaging of fruits and vegetables, are all extensively and comprehensively described. In addition, for the sake of further research in this field, the obstacles that impede the scaling up and commercialization of intelligent packaging for fruits and vegetables are also explored, to present valuable references. Active packaging ; Commercialization ; Categorization ; Biotechnology ; Computer science ; Biochemical engineering ; Risk analysis (engineering) ; Business ; Food science ; Biology ; Food packaging ; Engineering ; Marketing ; Artificial intelligence Nanocomposite Films for Food Packaging ; Advanced Chemical Sensor Technologies ; Electrochemical sensors and biosensors
Authors: Yifan Wang | Jianen Li | Liang Xu | Di Wu | Qiaona Li | Yunhe Ai | Wei Liu | Dannan Li | Yutong Zhou | Boyu Zhang | Nan Guo | Yue Tao | Ying Zhang
Source: Separation and Purification Technology (article, 2023-12-26)
Field: Materials Science — Materials Chemistry

EDTA functionalized Mg/Al hydroxides modified biochar for Pb(II) and Cd(II) removal: Adsorption performance and mechanism Adsorption ; Chemistry ; Biochar ; Hydroxide ; Ethylenediaminetetraacetic acid ; Freundlich equation ; Ion exchange ; Metal ; Metal ions in aqueous solution ; Langmuir ; Langmuir adsorption model ; Metal hydroxide ; Inorganic chemistry ; Nuclear chemistry ; Chelation ; Ion ; Organic chemistry ; Pyrolysis Layered Double Hydroxides Synthesis and Applications ; Adsorption and biosorption for pollutant removal ; Magnesium Oxide Properties and Applications
Authors: Yang Gao | Benxiang Zhang | Jiayan He | Phil S. Baran
Source: Journal of the American Chemical Society (article, 2023-05-16)
Field: Chemistry — Organic Chemistry

Ni-Electrocatalytic Enantioselective Doubly Decarboxylative C(sp<sup>3</sup>)–C(sp<sup>3</sup>) Cross Coupling The first examples of enantioselective doubly decarboxylative cross coupling are disclosed. Malonate half amides are smoothly coupled to a variety of primary carboxylic acids after formation of the corresponding redox-active esters under Ni-electrocatalytic conditions using a new chiral ligand based on PyBox, resulting in amides with α-alkylated stereocenters. The scope of the reaction is broad, tolerating numerous functional groups, and uniformly proceeds with high ee. Finally, the potential utility of this enantioselective radical-radical reductive cross coupling to simplify synthesis is demonstrated with numerous case studies. Chemistry ; Enantioselective synthesis ; Stereocenter ; Malonate ; Ligand (biochemistry) ; Stereochemistry ; Coupling reaction ; Amide ; Combinatorial chemistry ; Alkylation ; Decarboxylation ; Medicinal chemistry ; Organic chemistry ; Catalysis Radical Photochemical Reactions ; Catalytic C–H Functionalization Methods ; Catalytic Cross-Coupling Reactions
Authors: Congjie Chen | Zhen Shan | Shifei Tao | Aming Xie | Hongwei Yang | Jian Su | Satoshi Horke | Susumu Kitagawa | Gen Zhang
Source: Advanced Functional Materials (article, 2023-07-19)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Atomic Tuning in Electrically Conducting Bimetallic Organic Frameworks for Controllable Electromagnetic Wave Absorption Abstract Due to the structural complexity and limited controllability of conventional microwave‐absorption materials (MAMs), the precise regulation of atomically‐resolved structures and properties of MAMs remains a significant challenge. The interpretation of the dielectric loss mechanism is usually conduction and polarization losses, while the absence of components‐regulated template materials further hinders the disclosure of the mechanism. Herein, based on the customizable functionality of the MOF platform, a series of pristine bimetallic MOFs with precise and controllable conductivity are successfully constructed through the bimetallic alloying strategy. The controllability is attributed to the alteration of free‐carrier concentration and the subtle difference of interlayer displacement or spacing, both of which originate from the atomic tuning of hetero‐metal. Notably, Cu 1.3 Ni 1.7 (HITP) 2 features an ultra‐high absorption strength (reflection loss, RL = −71.5 dB) and an ultra‐wide maximum bandwidth (6.16 GHz) at only 15% filling, which ranked in the upper range of all reported MAMs. Due to the metal co‐synergies, Cu 1.3 Ni 1.7 (HITP) 2 possesses a switchable high absorption peak in a wide range (4–18 GHz). This work opens up an avenue for tailoring the atomic tuning of new MOF‐based electromagnetic wave absorbers and provides a conceptually novel platform. Materials science ; Bimetallic strip ; Microwave ; Controllability ; Optoelectronics ; Reflection loss ; Absorption (acoustics) ; Metal ; Dielectric ; Attenuation ; Electrical conductor ; Conductivity ; Nanotechnology ; Optics ; Composite material ; Computer science ; Composite number Electromagnetic wave absorption materials ; Advanced Antenna and Metasurface Technologies ; Metamaterials and Metasurfaces Applications
Authors: Samin Naghash‐Hamed | Nasser Arsalani | Seyed Borhan Mousavi
Source: Scientific Reports (article, 2023-02-27)
Field: Chemistry — Organic Chemistry

The catalytic performance of CuFe2O4@CQD nanocomposite as a high-perform heterogeneous nanocatalyst in nitroaniline group reduction In this study, we fabricated an economical, non-toxic, and convenient magnetic nanocomposite of CuFe<sub>2</sub>O<sub>4</sub> nanoparticles (NPs)/carbon quantum dots (CQDs) of citric acid via the co-precipitation method. Afterward, obtained magnetic nanocomposite was used as a nanocatalyst to reduce the ortho-nitroaniline (o-NA) and para-nitroaniline (p-NA) using a reducer agent of sodium borohydride (NaBH<sub>4</sub>). To investigate the functional groups, crystallite, structure, morphology, and nanoparticle size of the prepared nanocomposite, FT-IR, XRD, TEM, BET, and SEM were employed. The catalytic performance of the nanocatalyst was experimentally evaluated based on the ultraviolet-visible absorbance to assess the reduction of o-NA and p-NA. The acquired outcomes illustrated that the prepared heterogeneous catalyst significantly enhanced the reduction of o-NA and p-NA substrates. The analysis of the absorption showed a remarkable decrease for ortho-NA and para-NA at λ<sub>max</sub> = 415 nm in 27 s and λ<sub>max</sub> = 380 nm in 8 s, respectively. The constant rate (k<sub>app</sub>) of ortho-NA and para-NA at the stated λ<sub>max</sub> was 8.39 × 10<sup>-2</sup> s<sup>-1</sup> and 5.48 × 10<sup>-1</sup> s<sup>-1</sup>. The most highlighted result of this work was that the CuFe<sub>2</sub>O<sub>4</sub>@CQD nanocomposite fabricated from citric acid performed better than absolute CuFe<sub>2</sub>O<sub>4</sub> NPs, since nanocomposite containing CQDs had a more significant impact than copper ferrite NPs. Sodium borohydride ; Nanocomposite ; Citric acid ; Absorbance ; Materials science ; Catalysis ; Nuclear chemistry ; Reducing agent ; Nanoparticle ; Chemical engineering ; Crystallite ; Nanotechnology ; Chemistry ; Metallurgy ; Organic chemistry ; Chromatography Nanomaterials for catalytic reactions ; Carbon and Quantum Dots Applications ; Advanced Photocatalysis Techniques
Authors: Vasile-Adrian Surdu | Romuald Győrgy
Source: Applied Sciences (article, 2023-09-04)
Field: Materials Science — Materials Chemistry

X-ray Diffraction Data Analysis by Machine Learning Methods—A Review X-ray diffraction (XRD) is a proven, powerful technique for determining the phase composition, structure, and microstructural features of crystalline materials. The use of machine learning (ML) techniques applied to crystalline materials research has increased significantly over the last decade. This review presents a survey of the scientific literature on applications of ML to XRD data analysis. Publications suitable for inclusion in this review were identified using the “machine learning X-ray diffraction” search term, keeping only English-language publications in which ML was employed to analyze XRD data specifically. The selected publications covered a wide range of applications, including XRD classification and phase identification, lattice and quantitative phase analyses, and detection of defects and substituents, as well as microstructural material characterization. Current trends in the field suggest that future efforts pertaining to the application of ML techniques to XRD data analysis will address shortcomings of ML approaches related to data quality and availability, interpretability of the results and model generalizability and robustness. Additionally, future research will likely incorporate more domain knowledge and physical constraints, integrate with quantum physical methods, and apply techniques like real-time data analysis and high-throughput screening to accelerate the discovery of tailored novel materials. Interpretability ; Generalizability theory ; Computer science ; Robustness (evolution) ; Machine learning ; Materials science ; Artificial intelligence ; Data science ; Data mining ; Chemistry ; Statistics ; Mathematics Machine Learning in Materials Science ; X-ray Diffraction in Crystallography ; Crystallography and molecular interactions
Authors: Xinran Sun | Sibo Wang | Yidong Hou | Xue Feng Lu | Jiujun Zhang | Xinchen Wang
Source: Journal of Materials Chemistry A (article, 2023-01-01)
Field: Chemistry — Inorganic Chemistry

Self-supporting metal–organic framework-based hydrogen and oxygen electrocatalysts This article reviews the recent development of self-supporting metal–organic framework-based hydrogen and oxygen electrocatalysts with a focus on the synthesis strategy and application, and concluding with some current challenges and future perspectives. Metal-organic framework ; Focus (optics) ; Oxygen reduction ; Hydrogen ; Oxygen evolution ; Oxygen ; Nanotechnology ; Computer science ; Materials science ; Chemistry ; Electrochemistry ; Electrode ; Organic chemistry ; Physics Metal-Organic Frameworks: Synthesis and Applications ; Electrocatalysts for Energy Conversion ; Advanced Photocatalysis Techniques
Authors: Yang Yang | Weiyue Zhou | Sheng Yin | Sarah Y. Wang | Qin Yu | Matthew J. Olszta | Yaqian Zhang | Steven E. Zeltmann | Mingda Li | Miaomiao Jin | Daniel K. Schreiber | Jim Ciston | Mary Scott | John R. Scully | Robert O. Ritchie | Mark Asta | Ju Li | Michael P. Short | Andrew M. Minor
Source: Nature Communications (article, 2023-02-22)
Field: Materials Science — Materials Chemistry

One dimensional wormhole corrosion in metals Corrosion is a ubiquitous failure mode of materials. Often, the progression of localized corrosion is accompanied by the evolution of porosity in materials previously reported to be either three-dimensional or two-dimensional. However, using new tools and analysis techniques, we have realized that a more localized form of corrosion, which we call 1D wormhole corrosion, has previously been miscategorized in some situations. Using electron tomography, we show multiple examples of this 1D and percolating morphology. To understand the origin of this mechanism in a Ni-Cr alloy corroded by molten salt, we combined energy-filtered four-dimensional scanning transmission electron microscopy and ab initio density functional theory calculations to develop a vacancy mapping method with nanometer-resolution, identifying a remarkably high vacancy concentration in the diffusion-induced grain boundary migration zone, up to 100 times the equilibrium value at the melting point. Deciphering the origins of 1D corrosion is an important step towards designing structural materials with enhanced corrosion resistance. Corrosion ; Materials science ; Grain boundary ; Vacancy defect ; Porosity ; Density functional theory ; Alloy ; Transmission electron microscopy ; Diffusion ; Wormhole ; Chemical physics ; Metallurgy ; Microstructure ; Nanotechnology ; Composite material ; Crystallography ; Computational chemistry ; Chemistry ; Thermodynamics ; Physics Corrosion Behavior and Inhibition ; Electron and X-Ray Spectroscopy Techniques ; Hydrogen embrittlement and corrosion behaviors in metals
Authors: Subrata Ghosh | Sushant Kumar Behera | Ashutosh Mishra | Carlo S. Casari | Kostya Ostrikov
Source: Energy & Fuels (review, 2023-10-26)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Quantum Capacitance of Two-Dimensional-Material-Based Supercapacitor Electrodes Electrochemical energy storage technology has emerged as one of the most viable solutions to tackle the challenge of fossil-fuel-based technology and associated global pollution. Supercapacitors are widely used for high-power applications, and there is tremendous ongoing effort to make them useful for high-energy storage applications. While electrode materials of supercapacitors play a central role in charge storage performance, insights into the contribution from different charge storage mechanisms are crucial from both fundamental and applied aspects. In this context, apart from the electric double layer and fast redox reaction at/near the surface, another pronounced contribution from the electrode is quantum capacitance (<i>C</i><sub>Q</sub>). Here, the origin of <i>C</i><sub>Q</sub>, how it contributes to the total capacitance, the possible strategies to improve it, and the state-of-art <i>C</i><sub>Q</sub> of electrode materials, including carbon, two-dimensional materials, and their composites, are discussed. Although most of the studies on quantifying <i>C</i><sub>Q</sub> are theoretical, some case studies on experimental measurements using standard electrochemical techniques are summarized. With an overview and critical analysis of theoretical studies on quantum capacitance of electrode materials, this review critically examines the supercapacitor design strategies, including choosing the right materials and electrolytes. These insights are also relevant to other types of clean energy storage technologies, including metal-ion capacitors and batteries. Supercapacitor ; Capacitance ; Energy storage ; Materials science ; Context (archaeology) ; Capacitor ; Nanotechnology ; Electrode ; Electrolyte ; Pseudocapacitance ; Electrochemistry ; Engineering physics ; Optoelectronics ; Computer science ; Power (physics) ; Electrical engineering ; Voltage ; Chemistry ; Physics ; Engineering Supercapacitor Materials and Fabrication ; Advanced battery technologies research ; Advancements in Battery Materials
Authors: Dzmitry S. Firaha | Yifei Michelle Liu | Jacco van de Streek | Kiran Sasikumar | H. Dietrich | Julian Helfferich | Luc Aerts | Doris E. Braun | Anders Broo | Antonio G. DiPasquale | Alfred Y. Lee | S. Le Meur | Sten O. Nilsson Lill | Walter J. Lunsmann | Alessandra Mattei | Pierandrea Muglia | Okky Dwichandra Putra | Mohamed Raoui | Susan M. Reutzel‐Edens | Sandrine Rome | Ahmad Y. Sheikh | Alexandre Tkatchenko | Grahame R. Woollam | Marcus A. Neumann
Source: Nature (article, 2023-11-08)
Field: Materials Science — Materials Chemistry

Predicting crystal form stability under real-world conditions The physicochemical properties of molecular crystals, such as solubility, stability, compactability, melting behaviour and bioavailability, depend on their crystal form<sup>1</sup>. In silico crystal form selection has recently come much closer to realization because of the development of accurate and affordable free-energy calculations<sup>2-4</sup>. Here we redefine the state of the art, primarily by improving the accuracy of free-energy calculations, constructing a reliable experimental benchmark for solid-solid free-energy differences, quantifying statistical errors for the computed free energies and placing both hydrate crystal structures of different stoichiometries and anhydrate crystal structures on the same energy landscape, with defined error bars, as a function of temperature and relative humidity. The calculated free energies have standard errors of 1-2 kJ mol<sup>-1</sup> for industrially relevant compounds, and the method to place crystal structures with different hydrate stoichiometries on the same energy landscape can be extended to other multi-component systems, including solvates. These contributions reduce the gap between the needs of the experimentalist and the capabilities of modern computational tools, transforming crystal structure prediction into a more reliable and actionable procedure that can be used in combination with experimental evidence to direct crystal form selection and establish control<sup>5</sup>. Stability (learning theory) ; Computer science ; Machine learning Crystallization and Solubility Studies ; Crystallography and molecular interactions ; Enzyme Structure and Function
Authors: Konghu Tian | Yanan Huang | Jing Wang | Chao Zhang | Ruiwen Shu | Zhihong Chen | Xiaowei Liu | Yufei Li | Lixin Xu
Source: Journal of Colloid and Interface Science (article, 2023-06-20)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Carbon cloth based flexible electromagnetic wave absorbing materials loaded with Co3O4 array and tunable electromagnetic wave absorption performance Reflection loss ; Materials science ; Dielectric ; Attenuation ; Electrical conductor ; Scattering ; Annealing (glass) ; Dielectric loss ; Impedance matching ; Absorption (acoustics) ; Electromagnetic radiation ; Composite material ; Polarization (electrochemistry) ; Optoelectronics ; Bandwidth (computing) ; Electrical impedance ; Optics ; Composite number ; Computer science ; Electrical engineering ; Chemistry ; Telecommunications Electromagnetic wave absorption materials ; Advanced Antenna and Metasurface Technologies ; Metamaterials and Metasurfaces Applications
Authors: Leiming Wu | Xixi Yuan | Yuxuan Tang | S. Wageh | Omar A. Al‐Hartomy | Abdullah G. Al‐Sehemi | Jun Yang | Yuanjiang Xiang | Han Zhang | Yuwen Qin
Source: PhotoniX (article, 2023-05-05)
Field: Materials Science — Materials Chemistry

MXene sensors based on optical and electrical sensing signals: from biological, chemical, and physical sensing to emerging intelligent and bionic devices Abstract Sensing devices are key nodes for information detection, processing, and conversion and are widely applied in different fields such as industrial production, environmental monitoring, and defense. However, increasing demand of these devices has complicated the application scenarios and diversified the detection targets thereby promoting the continuous development of sensing materials and detection methods. In recent years, Ti n+1 C n T x ( n = 1, 2, 3) MXenes with outstanding optical, electrical, thermal, and mechanical properties have been developed as ideal candidates of sensing materials to apply in physical, chemical, and biological sensing fields. In this review, depending on optical and electrical sensing signals, we systematically summarize the application of Ti n+1 C n T x in nine categories of sensors such as strain, gas, and fluorescence sensors. The excellent sensing properties of Ti n+1 C n T x allow its further development in emerging intelligent and bionic devices, including smart flexible devices, bionic E-skin, neural network coding and learning, bionic soft robot, as well as intelligent artificial eardrum, which are all discussed briefly in this review. Finally, we present a positive outlook on the potential future challenges and perspectives of MXene-based sensors. MXenes have shown a vigorous development momentum in sensing applications and can drive the development of an increasing number of new technologies. MXenes ; Computer science ; Nanotechnology ; Materials science MXene and MAX Phase Materials ; 2D Materials and Applications ; Advanced Sensor and Energy Harvesting Materials