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author:

Wang, Jiao (Wang, Jiao.) [1] | Lu, Zhen-lin (Lu, Zhen-lin.) [2] | Ding, Kai-ning (Ding, Kai-ning.) [3]

Indexed by:

EI

Abstract:

Molybdenum-doped on Cu(II) adsorption of silica was investigated by using first-principle calculations based on density functional theory. The Monte Carlo simulation showed that Cu(II) adsorbed onto the surface of this nanomaterial and in the interstitial spaces between atoms, during the adsorption process, ΔH © 2020, © 2020 Informa UK Limited, trading as Taylor & Francis Group.

Keyword:

Adsorption Copper compounds Density functional theory Enzyme kinetics Molybdenum oxide Monte Carlo methods Silica Thermodynamics

Community:

  • [ 1 ] [Wang, Jiao]School of Materials Science and Engineering, Xi’an University of Technology, Xi’an, China
  • [ 2 ] [Lu, Zhen-lin]School of Materials Science and Engineering, Xi’an University of Technology, Xi’an, China
  • [ 3 ] [Ding, Kai-ning]Department of Chemistry, Research Institute of Photocatalysis, State Key Laboratory of Photocatalysis on Energy and Environment, Fuzhou University, Fuzhou, China

Reprint 's Address:

  • [lu, zhen-lin]school of materials science and engineering, xi’an university of technology, xi’an, china

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Related Keywords:

Source :

Molecular Simulation

ISSN: 0892-7022

Year: 2020

Issue: 6

Volume: 46

Page: 448-452

2 . 1 7 8

JCR@2020

1 . 9 0 0

JCR@2023

ESI HC Threshold:160

JCR Journal Grade:3

CAS Journal Grade:4

Cited Count:

WoS CC Cited Count:

SCOPUS Cited Count: 1

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 1

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