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The Journal of Physical Chemistry. A|November 20, 2010
A theoretical study on small iridium clusters: structural evolution, electronic and magnetic properties, and reactivity predictorsJiguang Du, Xiyuan Sun, Jun Chen, et al.Journal of Colloid and Interface Science|September 18, 2024
Theoretical evaluation of monolayer MA<sub>2</sub>Z<sub>4</sub> (M = Ti, Zr, or Hf; A = Si or Ge; and Z = P or As) family as promising candidates for lithium-sulfur batteriesJiguang Du, Xuying Zhou, Xiujuan Cheng, et al.Nanoscale|May 14, 2026
Dual-fullerene-confined single transition metal atoms as high-efficiency catalysts for hydrogen evolution reactionJingying Wei, Mingyang Shi, Kunyang Cheng, et al.The Journal of Chemical Physics|August 7, 2009
Geometrical and electronic structures of small W(n) (n = 2-16) clustersJiguang Du, Xiyuan Sun, Daqiao Meng, et al.The Journal of Chemical Physics|May 12, 2026
Application of a deep potential model for the structural evolution and phase stability of thoriumJiahao Deng, Kunyang Cheng, Mingyang Shi, et al.Dalton Transactions (Cambridge, England : 2003)|February 20, 2014
An icosahedral Ta12(2+) cluster with spherical aromaticityJiguang Du, Xiyuan Sun, Jun Chen, et al.The Journal of Physical Chemistry. A|March 5, 2013
Geometric transition and electronic properties of titanium-doped aluminum clusters: Al(n)Ti (n = 2-24)Yawen Hua, Yiliang Liu, Gang Jiang, et al.Scientific Reports|February 2, 2018
Hydrogen storage of Li<sub>4</sub>&B<sub>36</sub> clusterJiguang Du, Xiyuan Sun, Li Zhang, et al.Physical Chemistry Chemical Physics : PCCP|January 27, 2025
Phase transition and superconductivity of selenium under pressureEnci Zuo, Yingying Chen, Gang Jiang, et al.Physical Chemistry Chemical Physics : PCCP|October 26, 2023
Adsorption and diffusion of actinyls on the basal gibbsite (001) surface: a theoretical perspectiveXingyu Xie, Mingyang Shi, Xuying Zhou, et al.Pageof 3