Structure and Energetics of (111) Surface of γ‑Al2O3: Insights from DFT Including Periodic Boundary Approach

Structure and Energetics of (111) Surface of γ‑Al2O3: Insights from DFT Including Periodic Boundary Approach

Bibliographic Details
Main Authors: Jiande Gu, Jing Wang, Jerzy Leszczynski
Format: Article
Language:English
Published: American Chemical Society 2018-02-01
Series:ACS Omega
Online Access:http://dx.doi.org/10.1021/acsomega.7b01921
id doaj-519a07c958c84d628becb70d87fc8b55
record_format Article
spelling doaj-519a07c958c84d628becb70d87fc8b552020-11-25T03:49:35ZengAmerican Chemical SocietyACS Omega2470-13432018-02-01321881188810.1021/acsomega.7b01921Structure and Energetics of (111) Surface of γ‑Al2O3: Insights from DFT Including Periodic Boundary ApproachJiande Gu0Jing Wang1Jerzy Leszczynski2Interdisciplinary Nanotoxicity Center, Department of Chemistry, Physics and Atmospheric Sciences, Jackson State University, Jackson, Maryland, United StatesInterdisciplinary Nanotoxicity Center, Department of Chemistry, Physics and Atmospheric Sciences, Jackson State University, Jackson, Maryland, United StatesInterdisciplinary Nanotoxicity Center, Department of Chemistry, Physics and Atmospheric Sciences, Jackson State University, Jackson, Maryland, United Stateshttp://dx.doi.org/10.1021/acsomega.7b01921
collection DOAJ
language English
format Article
sources DOAJ
author Jiande Gu
Jing Wang
Jerzy Leszczynski
spellingShingle Jiande Gu
Jing Wang
Jerzy Leszczynski
Structure and Energetics of (111) Surface of γ‑Al2O3: Insights from DFT Including Periodic Boundary Approach
ACS Omega
author_facet Jiande Gu
Jing Wang
Jerzy Leszczynski
author_sort Jiande Gu
title Structure and Energetics of (111) Surface of γ‑Al2O3: Insights from DFT Including Periodic Boundary Approach
title_short Structure and Energetics of (111) Surface of γ‑Al2O3: Insights from DFT Including Periodic Boundary Approach
title_full Structure and Energetics of (111) Surface of γ‑Al2O3: Insights from DFT Including Periodic Boundary Approach
title_fullStr Structure and Energetics of (111) Surface of γ‑Al2O3: Insights from DFT Including Periodic Boundary Approach
title_full_unstemmed Structure and Energetics of (111) Surface of γ‑Al2O3: Insights from DFT Including Periodic Boundary Approach
title_sort structure and energetics of (111) surface of γ‑al2o3: insights from dft including periodic boundary approach
publisher American Chemical Society
series ACS Omega
issn 2470-1343
publishDate 2018-02-01
url http://dx.doi.org/10.1021/acsomega.7b01921
work_keys_str_mv AT jiandegu structureandenergeticsof111surfaceofgal2o3insightsfromdftincludingperiodicboundaryapproach
AT jingwang structureandenergeticsof111surfaceofgal2o3insightsfromdftincludingperiodicboundaryapproach
AT jerzyleszczynski structureandenergeticsof111surfaceofgal2o3insightsfromdftincludingperiodicboundaryapproach
_version_ 1724494572176801792

Similar Items