Open AccessAb Initio Predictions of Hexagonal Zr(B,C,N) Polymorphs for Coherent Interface Design
Author(s) -
Chongze Hu,
Jingsong Huang,
Bobby G. Sumpter,
Efstathios I. Meletis,
Traian Dumitrică
Publication year - 2017
Publication title -
the journal of physical chemistry c
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.401
H-Index - 289
eISSN - 1932-7455
pISSN - 1932-7447
DOI - 10.1021/acs.jpcc.7b09444
Subject(s) - ab initio , valence electron , materials science , ab initio quantum chemistry methods , density functional theory , high resolution transmission electron microscopy , electronic structure , valence (chemistry) , lattice constant , crystallography , chemical physics , computational chemistry , chemistry , electron , transmission electron microscopy , nanotechnology , molecule , physics , quantum mechanics , diffraction , optics , organic chemistry
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