Results 191 to 200 of about 129,819 (311)

Single‐Atom Intercalation‐Driven Topological Ferroelectric Metal for High‐Performance Hydrogen Evolution Reaction

Advanced Science, EarlyView.
Single‐atom Cu intercalation enables porous AB3 monolayers to integrate ferroelectricity, metallicity, topology, and hydrogen evolution catalysis in one platform. Switchable FE polarization modulates work function and hydrogen adsorption thermodynamics, providing an electrically controllable route to activate basal‐plane HER activity in topological ...
Rongxuan Lu, Jian Zhang, Jialin Gong, Wenxian Li, Gang Zhang   +4 more
wiley   +1 more source

Ab-initio phonon calculation for Ba3In(BO3)3 / R-3 (148) / materials id 866313

Ab-initio phonon calculation for Ba3In(BO3)3 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw data are presented.
Atsushi Togo
core  

Giant Bulk Photovoltaic Effect in Two‐Dimensional Topological Ferroelectric Semimetal

Advanced Science, EarlyView.
ABSTRACT Ferroelectric (FE) metals have attracted growing interest because they combine ferroelectricity with metallic behavior and enable polarization‐controlled band topology near the Fermi level. However, the number of known ferroelectric metals is still limited.
Jianhua Wang, Xia Cheng, Shibo Fang, Tao Zhu, Xiaodong Zhou, Shifeng Qian, Tie Yang, Wenhong Wang, Yee Sin Ang   +8 more
wiley   +1 more source

Orientational enhancement of surface phonon polarity in superconducting KTaO₃ interfaces. [PDF]

Nat Commun
Liu T, Li J, Zhang S, Zhou T, Lu F, Chen X, Liu J, Cheng L, Liu X, Li W, Xie Y, Zhai X, Peng R, Liu WT.   +13 more
europepmc   +1 more source

Ab-initio phonon calculation for Li3SbS3 / R-3 (148) / materials id 755463

Ab-initio phonon calculation for Li3SbS3 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw data are presented.
Atsushi Togo
core  

Multiferroic‐Centric Materials and Systems Engineering for Battery Applications: An Insight Into Mechanisms, Strategies, and Characterizations

Advanced Science, EarlyView.
Multiferroic order parameters – polarization, magnetization, and ferroelastic strain – are positioned as dynamic design variables for batteries. Their mechanistic roles, practical tuning through fabrication and external fields, and ferroic‐resolved characterization routes are unified into a closed‐loop framework, revealing how coupled ferroic responses
Jiaqi Su, Yanda Zhu, Hao Peng, Manman Li, Xuzihan Zhang, Meixiao Wu, Siyuan Zhang, Yuhan Zeng, Jiwen Liao, Ming Luo, Hetaishan Huang, Yutong Wang, Sean Li, Wenxian Li   +13 more
wiley   +1 more source

Strong anharmonicity driven wave-like thermal transport and high thermoelectric performance in TlCu₅Se₃. [PDF]

Sci Adv
Choudhury S, Bhui A, Matukumilli PVD, Thapa M, Soni A, Waghmare UV, Biswas K.   +6 more
europepmc   +1 more source

Ab-initio phonon calculation for KSb5S8 / Pc (7) / materials id 15559

Ab-initio phonon calculation for KSb5S8 / Pc (7) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw data are presented.
Atsushi Togo
core  

Polarization Dynamics in Ferroelectrics: Insights Enabled by Machine Learning Molecular Dynamics

Advanced Science, EarlyView.
Machine learning molecular dynamics is presented as a route to capture polarization switching, domain wall kinetics, topological polar textures, and polar mechanical coupling beyond the limits of conventional atomistic methods. This Perspective surveys recent progress and identifies key methodological directions, including long‐range electrostatics ...
Dongyu Bai, Ri He, Junxian Liu, Liangzhi Kou   +3 more
wiley   +1 more source

Fundamentals of Thermal Transport and Energy Conversion in Ultra-High Temperature Ceramics: From Microscale Mechanisms to Macroscopic Properties. [PDF]

Adv Sci (Weinh)
Pei Z, Li Y, Xing J, Zhu Y, Zhang R, Wu H, Qin Z, Pei G, Li M.   +8 more
europepmc   +1 more source