First-principle calculations of the effects on Cu(II) adsorption of molybdenum-doped silica - Details

author：

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

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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

Email：

18791869412@163.com

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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： 2

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