Results 211 to 220 of about 7,011 (294)

Direct derivation of anisotropic atomic displacement parameters from molecular dynamics simulations in extended solids with substitutional disorder using a neural network potential. [PDF]

Acta Crystallogr A Found Adv
Hinuma Y.
europepmc   +1 more source

Comparison between cluster and supercell approaches: the case of defects in diamond

, 2017
Simone Salustro, Anna Maria Ferrari, Roberto Orlando, Roberto Dovesi   +3 more
openalex   +2 more sources

Combined Gravimetric, Electrochemical, and Computational Research on Benzothiophene Derivatives as Effective Corrosion Inhibitors for Mild Steel

Asia-Pacific Journal of Chemical Engineering, EarlyView.
ABSTRACT Four benzothiophenes, thianaphthene (BT‐1), 3‐bromothianaphthene (BT‐2), benzo[b]thiophene‐2‐carboxaldehyde (BT‐3), and benzo[b]thiophene‐2‐carbonitrile (BT‐4), were tested as mild steel corrosion inhibitors in 1‐M HCl. The compounds have the similar benzothiophene core but differ in the substituents bound to the ring.
Nhlanhla G. Chirwa, Motsie Elija Mashuga, Mohammad Salman, Indra Bahadur   +3 more
wiley   +1 more source

Mechanical Transitions in Crystals: The Low-Temperature Thermosalient Transition of a Mesogenic Polyphenyl. [PDF]

J Am Chem Soc
Parisi E, Santagata E, Kula P, Herman J, Gupta S, Simone E, Zarrella S, Korter TM, Centore R.   +8 more
europepmc   +1 more source

An Analysis on Tencent’s Acquisition of Supercell [PDF]

Long Shuai
openalex   +1 more source

First‐Principles Investigation of the Electronic, Phonon, Optical, and Elastic Properties of AgBiTeSe

Advanced Physics Research, EarlyView.
This study presents a first‐principles investigation of the electronic, vibrational, optical, and elastic properties of AgBiTeSe. The results highlight its metallic behavior, dynamic stability, strong optical absorption, and promising thermoelectric potential.
Nilufer Yesmin Tanisa, Munshi H. M. Rahat, Sayed Bony Amin, Md. Karimul Islam   +3 more
wiley   +1 more source

Enhanced Antibacterial Efficacy of Copper Single-Atom Catalysts on a Two-Dimensional Boron Nitride Platform. [PDF]

ACS Nano
Li W, Maldonado-Lopez D, Zhao Y, Wang C, Gao J, Sun B, Bai Y, Sun L, Zhao M, He H, Lou J, Yu Q, Zhang X, Pandey VK, Kang F, Terrones M, Mendoza-Cortes JL, Lei Y.   +17 more
europepmc   +1 more source

A New Class of Room‐Temperature Multiferroic Thin Films with Bismuth‐Based Supercell Structure

, 2012
Aiping Chen, Honghui Zhou, Zhenxing Bi, Yuanyuan Zhu, Zhiping Luo, Adrian Bayraktaroglu, Jamie Phillips, Eun‐Mi Choi, Judith L. MacManus‐Driscoll, Stephen J. Pennycook, J. Narayan, Q. X. Jia, X. Zhang, Haiyan Wang   +13 more
openalex   +2 more sources

Toroidal‐Dipole‐Driven Polarization‐Selective Quasi‐BICs Enabling Wide‐Angle Near‐Field Image Display in Dielectric Metasurfaces

Advanced Physics Research, EarlyView.
This study presents toroidal‐dipole (TD)‐driven polarisation‐selective quasi‐bound states in the continuum (quasi‐BICs) in all‐dielectric metasurfaces, enabling transverse magnetic (TM)‐selective excitation with ultrahigh quality factors and wide‐angle‐stable polarisation‐dependent near‐field imaging.
Xueheng Yan, Dewang Huo, Haiyang Huang, Yang Jiao, Wei Li, Zengfeng Di   +5 more
wiley   +1 more source

Tunable Chiral Terahertz Wave Absorption and Beam Manipulation Based on Vanadium Dioxide Metasurfaces. [PDF]

Nanomaterials (Basel)
Luo L, Chen B, Li J, Zheng Y, He J, Lv Y, Liu L, Chen C, Ding J, Yan X, Chen J, Tian T, Zhao Z, Lin Z, Chen M, Liang L, Yao J.   +16 more
europepmc   +1 more source