Results 211 to 220 of about 109,716 (280)

A Novel Implementation of CCSD Analytic Gradients Using Cholesky Decomposition of the Two-Electron Integrals and Abelian Point-Group Symmetry. [PDF]

J Phys Chem A
Melega L, Nottoli T, Gauss J, Lipparini F.   +3 more
europepmc   +1 more source

Why Is the Mechanism Underlying the Chiral‐Induced Selectivity Effect Still Challenging?

Advanced Materials, EarlyView.
The chiral‐induced spin selectivity (CISS) effect is observed in many experimental configurations and for different materials. However, there are theoretical challenges in attempting to explain those results. A qualitative framework for explaining all the results is presented.
Ron Naaman, Yossi Paltiel
wiley   +1 more source

Restoring Symmetry and Enhancing Exchange via Chiral Molecular-Magnetic Hexagons. [PDF]

J Phys Chem A
Pederson MR, Hooshmand Z, Zhang D, Islam MF, Withanage KPK.   +4 more
europepmc   +1 more source

Strain‐Driven Surface Reconstruction During the Alkaline Oxygen Evolution Reaction: a Model Thin‐Film Study

Advanced Materials, EarlyView.
ABSTRACT Dynamic surface reconstruction critically governs the performance and durability of oxide‐based electrocatalysts for the oxygen evolution reaction (OER), yet controlling this process under operating conditions remains challenging. Here, we demonstrate that lattice strain regulates the extent of surface reconstruction in perovskite oxides by ...
Yong Beom Kim, Jeong Jin Lee, Jeongah Lee, Yeongtaek Hong, San Kwak, WooChul Jung   +5 more
wiley   +1 more source

A reassessment of the role of high <i>x</i> data on the MSHT global PDF fit. [PDF]

Eur Phys J C Part Fields
Harland-Lang LA, Cridge T, Reader M, Thorne RS.   +3 more
europepmc   +1 more source

Inert Catalytic Sites Unlocked by Micropollutants for Rapid Water Decontamination with Near‐Complete Chemical Utilization

Advanced Materials, EarlyView.
Micropollutants can act as molecular triggers that activate a newly designed and chemically inert Fenton‐like PKU‐24 catalyst for on‐demand singlet oxygen generation from peroxymonosulfate (PMS), enabling nearly complete peroxide utilization and selective micropollutant removal from complex real‐world wastewater.
Yu‐Hang Li, Mingyi Liu, Yuanhao Li, Yaran Bai, Fu‐Xue Wang, Xiaoyi Hu, Xiaoguang Duan, Haodong Ji   +7 more
wiley   +1 more source

A multi-resolution systematically improvable quantum embedding scheme for large-scale surface chemistry calculations. [PDF]

Nat Commun
Huang Z, Guo Z, Cao C, Pham HQ, Wen X, Booth GH, Chen J, Lv D.   +7 more
europepmc   +1 more source

Decoding THz‐Driven Dynamic Fingerprints of Ferroelectric Nanotwin Networks

Advanced Materials, EarlyView.
ABSTRACT Ultrafast polarization dynamics in ferroelectrics are of considerable interest for high‐speed tunable dielectrics and electro‐optics. Extended domain wall networks formed in ferroelectric twin nanodomains can support collective dynamics in the terahertz regime but require techniques that track polarization and strain evolution driven by ...
Xiaojiang Li, Aiden Ross, Vladimir A. Stoica, Sujit Das, Sankalpa Hazra, Huaiyu (Hugo) Wang, Hari Padma, Matthias C. Hoffmann, Patrick Kramer, Sanghoon Song, Silke Nelson, Takahiro Sato, Diling Zhu, Ramamoorthy Ramesh, Lane W. Martin, Yue Cao, John W. Freeland, Aaron M. Lindenberg, Haidan Wen, Long‐Qing Chen, Venkatraman Gopalan   +20 more
wiley   +1 more source

Chaotic and dynamic vibration analysis of a time-delayed nonlinear mathieu oscillator via non-perturbative approach. [PDF]

Sci Rep
Moatimid GM, Amer TS, Mohamed YM.
europepmc   +1 more source

Spin‐Orbit Torque Induced by Switchable Crystal Inversion Symmetry Breaking

Advanced Materials, EarlyView.
An exotic crystal inversion symmetry breaking in SrRuO3/BiFeO3 heterostructure is revealed, and it can be reversibly manipulated by the ferroelectric polarization of BiFeO3. This crystal inversion symmetry breaking can dramatically enhance the spin‐orbit torque efficiency in the SrRuO3 layer by more than 60%, providing an alternative to design an ...
Zhenyi Zheng, Shu Shi, Zhongran Liu, Qihan Zhang, Naafis Ahnaf Shahed, Himanshu Mavani, Guowei Zhou, Qian Chen, Cheng Zhang, Zhanqi Zhou, Tieyang Zhao, Rui Xiao, Lanxin Jia, Liang Liu, Evgeny Y. Tsymbal, Xiaohong Xu, He Tian, Jingsheng Chen   +17 more
wiley   +1 more source