Results 191 to 200 of about 13,636,242 (258)

Displacive In‐Plane Ferroelectricity with Domain‐Specific Curie Temperature in Van der Waals Semiconductors

Advanced Science, EarlyView.
Temperature‐dependent electron diffraction on tin monochalcogenides demonstrates a gradual displacive transformation between ferroelectric and paraelectric phases with significant variability in lattice constants and Curie temperature (TC). Periodic variations exist even between domains in individual crystals, implying a domain‐specific Curie ...
Peter Sutter, Eli Sutter
wiley   +1 more source

Deep Eutectic Solvents for Ammonia Capture and Detection: Molecular Design, Absorption Mechanisms, and Analytical Applications: A Brief Review. [PDF]

Int J Mol Sci
Satanova B, Kalmanova D, Zhexembayeva A, Abdirashev O, Abuova A, Abuova F, Kalpakov Y, Orymbetov A, Konuhova M, Popova E, Popov AI.   +10 more
europepmc   +1 more source

New High‐Tc Charge‐Transfer Multiferroicity in the Quasi‐2D Antiferromagnet CrSbS3

Advanced Science, EarlyView.
ABSTRACT Low‐dimensional magnets, particularly 2D systems, offer a rich platform for realizing unconventional multiferroic mechanisms, especially when multiple polarization channels coexist. In the quasi‐2D antiferromagnet CrSbS3, which crystallizes in the centrosymmetric orthorhombic space group Pnma and orders magnetically at TN ≈ 90 K, two ...
Hung‐Cheng Wu, Yu‐Hsin Liao, Chih‐Chung Tsai, Pei‐Ying Yang, Yu‐Hao Chang, Yu‐Hui Liang, D. Chandrasekhar Kakarla, Ajay Tiwari, C. Dhanasekhar, Chin‐Wei Wang, Daisuke Okuyama, Chia‐Nung Kuo, Chin‐Shan Lue, Tzu‐Hsuan Weng, Kung‐Hsuan Lin, Jau‐Wern Chiou, Chi‐Hung Lee, Hung‐Duen Yang   +17 more
wiley   +1 more source

Ultrasound-Assisted Extraction of Curcumin Using a Deep Eutectic Solvent: Molecular Insights into the Extraction Mechanism. [PDF]

Molecules
Sun N, Guo X, Li E, Zhou Y, Yin S, Cui P.   +5 more
europepmc   +1 more source

ML Workflows for Screening Degradation‐Relevant Properties of Forever Chemicals

Advanced Science, EarlyView.
The environmental persistence of per‐ and polyfluoroalkyl substances (PFAS) necessitates efficient remediation strategies. This study presents physics‐informed machine learning workflows that accurately predict critical degradation properties, including bond dissociation energies and polarizability.
Pranoy Ray, Andrew R. Castillo, Manoj Kolel‐Veetil, Surya R. Kalidindi   +3 more
wiley   +1 more source

Gate-Tunable Polarity-Reconfigurable Photovoltaic Response With Dual Linearity in NbS₃/WSe₂ Heterostructures for In-Sensor Image Processing. [PDF]

Adv Sci (Weinh)
Liu J, Xie J, Hao Q, Hu Y, He Z, Liu H, Lin D, Gan H, Tu Y, Zhang W.   +9 more
europepmc   +1 more source

Synergistic Spin‐Polarization and Single‐Atom Engineering in Magnetic Heterojunctions for Efficient Solar Water Splitting

Advanced Science, EarlyView.
High‐throughput screening led to the identification of 67 Z‐scheme heterojunctions (comprising 2D magnetic transition metal halides and non‐magnetic transition metal chalcogenides). For CrI3/MoTe2 and CrI3/WTe2, electronic structure analysis demonstrated that synergistic crystallographic point group and built‐in electric field effects generate a ...
Hongyang Ren, Zhenzhou Guo, Huirong Wu, Peilin Huang, Jie Yang, Jie Zhang, Guangqian Ding, Hongkuan Yuan, Biao Wang   +8 more
wiley   +1 more source

Hydrophobic Natural Deep Eutectic Solvents for Sustainable CO₂ Capture: Molecular Insights From Multiscale Modeling. [PDF]

Chemphyschem
Aguilar N, Rozas S, Marcos PA, Bol A, Aparicio S.   +4 more
europepmc   +1 more source

Integrating Machine Learning With Constant‐Potential Simulation to Unravel Charge‐Transfer Mechanisms in Electrochemical Nitrogen Fixation

Advanced Science, EarlyView.
Integrating interpretable machine learning with the fixed‐potential method reveals a novel mechanism: the catalytic activity of the electrochemical nitrogen reduction reaction is governed by partial charge transfer, induced by variations in the intermediate potential of zero charge under constant potential.
Yufei Xue, Dushuo Feng, Yuefei Zhang, Yang Zhang, Yalong Jiao, Aijun Du, Guoping Gao   +6 more
wiley   +1 more source

Two Routes to the Same Equation: Kinetic and Statistical-Thermodynamic Derivations of the Classical Drug-Receptor Occupancy Relationship. [PDF]

Cureus
Raffa RB.
europepmc   +1 more source