Results 291 to 300 of about 1,610,034 (354)

Unveiling Anisotropic in‐Plane Thermal Conductivity and Thermal Expansion Coefficient in Low‐Symmetry Few‐Layer ReS2

Advanced Science, EarlyView.
Simultaneous two‐mode Raman thermometry reveals strong in‐plane anisotropic thermal conductivity and thermal expansion coefficients in low‐symmetry few‐layer ReS2. By decoupling thermal transport along the crystallographic a‐ and b‐axes within a single optical configuration, this study provides robust experimental evidence and ab initio theoretical ...
Manab Mandal, Prahalad Kanti Barman, Susmita Jana, Saroj Poudyal, Kaushalya Kumari, Sourav Mondal, Abhishek Misra, Birabar Ranjit Kumar Nanda, Pramoda Kumar Nayak, Kanikrishnan Sethupathi   +9 more
wiley   +1 more source

Balancing theory uncertainties in ab initio nuclear structure calculations: Many-body truncation versus finite basis size [PDF]

L. Zurek, Urban Vernik, Pepijn Demol, T. Duguet, Mikaël Frosini, A. Tichai   +5 more
openalex  

A Precision Emulation Approach to the GPU Acceleration of Ab Initio Electronic Structure Calculations

Hang Liu, Junjie Li, Yinzhi Wang, Niraj K. Nepal, Yang Wang   +4 more
openalex   +1 more source

Colossal Magnetic‐Field‐Induced Anomalous Hall Conductivity in a Kagome Antiferromagnet YMn6Sn6

Advanced Science, EarlyView.
Magnetic‐field‐driven spin canting in the kagome antiferromagnet YMn6Sn6${\rm YMn}_6{\rm Sn}_6$ reshapes flat and Dirac bands near the Fermi level, redistributing Berry curvature and producing colossal anomalous Hall conductivity. The study reveals how magnetic configuration and clean‐limit skew scattering cooperate to amplify Hall transport, offering ...
Minhyuk Choi, Hoil Kim, Minki Sung, Hyeongwoo Seo, Joonyoung Choi, Jaeyoung Kim, Younjung Jo, Han Woong Yeom, Kyung‐Hwan Jin, Jun Sung Kim   +9 more
wiley   +1 more source

An Extracellular Pore‑Targeting Peptide Defines a Designable Allosteric Site in TRPV2

Advanced Science, EarlyView.
Structure‐guided peptide engineering yields Depiv2, a highly potent and subtype‐selective TRPV2 inhibitor that binds to the extracellular pore and remodels it into a closed, non‐conductive state. Depiv2 suppresses pathological cardiac hypertrophy, establishing the TRPV2 outer pore as a designable interface for selective peptide modulation.
Aiqin Zhu, Hongkun Wang, Jiawei Wang, Xiaolu Liu, Aerziguli Aierken, Lizhen Xu, Ping Liang, Fan Yang   +7 more
wiley   +1 more source

Sn‐Driven Grain Boundary Elimination for Single‐Crystalline Ni‐Rich Cathodes with Superior High‐Voltage Stability in Lithium‐Ion Batteries

Advanced Science, EarlyView.
A low‐temperature synthesis method of single‐crystalline NCA was successfully achieved by Sn doping, employing the same synthetic conditions as its polycrystalline counterparts. This synthesis was conducted at a temperature that was 150 °C lower than that required for synthesizing single‐crystalline NCA without Sn doping.
Guomeng Xie, Delai Qian, Ruiwu Li, Terence Xiaoteng Liu, Shun Lu   +4 more
wiley   +1 more source

Quantification of the effects of n-π* interactions on the H-bonding properties of amide groups. [PDF]

Chem Sci
Hanna FE, Bond AD, Hunter CA.
europepmc   +1 more source

Fine-tuning ab initio XANES spectra calculations using the Bayesian optimization algorithm

Andrey A. Sapronov, Dmitry E. Doronkin, Jan‐Dierk Grunwaldt   +2 more
openalex   +1 more source

Nonlinear Quantum Effects Drive Grotthuss Proton Conduction in Structured Electrolytes Based on Deep Eutectic Solvents

Advanced Science, EarlyView.
We demonstrate that the inverse relationship between viscosity and conductivity in structured electrolytes can be circumvented by leveraging their hydrogen bonding networks for Grotthuss proton transport. Using a mixture of imidazole and levulinic acid, we show that the existence of extended hydrogen‐bonded chains that can rapidly reorient result in ...
Benworth B. Hansen, Michael S. Chen, Giselle de A. L. e Souza, Kaylie Glynn, Alan Robledo, Emilia Pelegano‐Titmuss, Katherine Hightower, Miguel Muñoz, Rathiesh Pandian, Clemens Burda, Aikaterini Sanida, Mark Dadmun, Burcu E. Gurkan, Steve G. Greenbaum, Mark E. Tuckerman, Joshua R. Sangoro   +15 more
wiley   +1 more source

Promising thermoelectric transport properties of new γ-SnSe single crystals with full ab initio calculations

Mengyan Ge, Xuemei Zhang, Kai Jia, Lingyun Ye, Liuming Wei, Pingping Wang, Yongxiang Qiu, Ya-Nan Lyu   +7 more
openalex   +1 more source