Results 251 to 260 of about 349,748 (311)

Ferroelectricity in Antiferromagnetic Wurtzite Nitrides

Advanced Functional Materials, EarlyView.
We establish MnSiN2${\rm MnSiN}_2$ and MnGeN2${\rm MnGeN}_2$ as aristotypes of a new multiferroic wurtzite family that simultaneously exhibits ferroelectricity and antiferromagnetism with altermagnetic spin splitting. By strategically substituting alkaline‐earth metals, we predict new materials with coexisting switchable polarization, spin texture, and
Steven M. Baksa, Lin‐Ding Yuan, Stephen D. Wilson, James M. Rondinelli   +3 more
wiley   +1 more source

Polarizable Vanadium Dipoles Promote Water Dissociation on Vanadium‐Based Metal Organic Framework

Advanced Functional Materials, EarlyView.
The polarization of unpaired V 3d electrons weakens the H─O bond to improve water dissociation by the dual Vδ+:O─H and Pλ−:H─O coupling hydrogen bonds formation and relaxation. P@V‐MOF electrocatalyst shows low overpotentials (94 mV in acid, 178 mV in neutral, and 77 mV in alkaline solutions) with excellent stability for effective overall water ...
Xinjuan Liu, Jun Xu, Minmin Fan, Jingcheng Xu, Mengyuan Li, Yun Gong, Weiwei Yang, Lei Li, Yong Zhou, Deqiang Zhao, Yuhua Xue, Xingtao Xu, Chang Q. Sun, Liming Dai   +13 more
wiley   +1 more source

Role of Intrinsic Electron Trapping in Negative Charging of Amorphous Alumina

Advanced Functional Materials, EarlyView.
Intrinsic electron trapping in amorphous Al2O3 is examined using hybrid‐DFT models spanning a wide density range. Both spontaneous and thermally activated trapping are identified, with pronounced spontaneous localization in dense, partly crystallized structures.
Jack W. Strand, Kaja H. Hiorth, David Gao, Valeri Afanas'ev, Jaakko Akola, Alexander L. Shluger   +5 more
wiley   +1 more source

Calculation of height of capillary rise in non-homogeneous soil profiles

, 1979
Aliverti - Piuri, E., Wesseling, J.G.
core  

Liquid Phase Transmission Electron Microscopy: A Window into the Early Stages of Complex Material Formation

Advanced Functional Materials, EarlyView.
Liquid‐phase transmission electron microscopy enables direct observation of nucleation and growth processes in solution. This review is dedicated to the remembrance of Helmut Cölfen and highlights recent studies on complex materials—oxides, biominerals, organic–inorganic crystals—which were central to his research activity. It summarizes key milestones,
Charles Sidhoum, Vinavadini Ramnarain, Nathaly Ortiz Peña, Dris Ihiawakrim, Clément Sanchez, Ovidiu Ersen   +5 more
wiley   +1 more source

Research on the simplified calculation method of non-limit active earth pressure of limited soil mass in adjacent foundation pits. [PDF]

PLoS One
Zhang Z, Wang Z, Xu F, Wu F, Liu Z, Chen X, Kang J.   +6 more
europepmc   +1 more source

Transferable Semiempirical Models for Judd-Ofelt Parameters and Multiphonon Relaxation in Eu³⁺ Complexes: Toward an Experiment-Free Luminescence Design. [PDF]

J Comput Chem
Neto CMB, Santos GS, de Souza LA, Marques LF, Dutra JDL, Freire RO.   +5 more
europepmc   +1 more source

Latent density discrepancies in commercial lung-equivalent inserts and their clinical dosimetric impact. [PDF]

J Appl Clin Med Phys
Nakao M, Ozawa S, Miura H, Hayata M, Habara K, Kenjo M.   +5 more
europepmc   +1 more source

Environmental theoretical calculation for non-periodic systems

Trends in Chemistry, 2023
Environmental theoretical calculation aims to use computer simulation to assist in solving environmental problems. Herein, we present the guiding principles of environmental theoretical calculation for non-periodic systems.
Alistair G L Borthwick, Wen Liu
exaly   +3 more sources

A Study on Theoretical Calculation Method of Subway Safety Evacuation

Procedia Engineering, 2014
Taking Hang Zhou Subway as research background, this article puts forward a new theoretical calculation suitable for subway safety evacuation, which is based on theoretical calculation of Japanese safety evacuation.
Zhisheng Xu
exaly   +2 more sources