Adsorption and dissociation of water molecules at the α-Al2O3(0001) surface: A 2-dimensional hybrid self-consistent charge density functional based tight-binding/molecular mechanics molecular dynamics (2D SCC-DFTB/MM MD) simulation study-Reference-Cited by-同舟云学术

Adsorption and dissociation of water molecules at the α-Al2O3(0001) surface: A 2-dimensional hybrid self-consistent charge density functional based tight-binding/molecular mechanics molecular dynamics (2D SCC-DFTB/MM MD) simulation study

Published:2019-06 Issue: Volume:164 Page:195-204
ISSN:0927-0256
Container-title:Computational Materials Science
language:en
Short-container-title:Computational Materials Science

Author:

Prasetyo Niko^ORCID,Hofer Thomas S.

Funder

Indonesia Endowment Fund for Education Ministry of Finance Republik Indonesia

ASEAN-European Academic University Network

Austrian Federal Ministry of Science, Research and Economy

Austrian Agency for International Cooperation in Education and Research

Publisher

Elsevier BV

Subject

Computational Mathematics,General Physics and Astronomy,Mechanics of Materials,General Materials Science,General Chemistry,General Computer Science

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