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J-GLOBAL ID：201702217606855190   Reference number：17A1607864

Thermodynamic foundations of applications of ab initio methods for determination of the adsorbate equilibria: hydrogen at the GaN(0001) surface

吸着質平衡(GaN(0001)面の水素)決定へのab initio法応用の熱力学的基礎【Powered by NICT】

Author (5)： Kempisty Pawel (Institute of High Pressure Physics, Polish Academy of Sciences, Sokolowska 29/37, 01-142 Warsaw, Poland. [e-mail]) ,  Strak Pawel ,  Sakowski Konrad ,  Kangawa Yoshihiro ,  Krukowski Stanislaw
Material： Physical Chemistry Chemical Physics  (PCCP)
Volume： 19  Issue： 43  Page： 29676-29684  Publication year： 2017 
JST Material Number： A0271C  ISSN： 1463-9076  CODEN： PPCPFQ  Document type： Article
Article type： 原著論文  Country of issue： United Kingdom (GBR)  Language： ENGLISH (EN)

Abstract/Point： Thermodynamic foundations of a...

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Thesaurus term： *gallium nitride ,  *crystal face ,  *hydrogen ,  *adsorption equilibrium ,  *ab initio method ,  *thermodynamics ,  *computation model ,  element ,  chemical potential ,  enthalpy ,  entropy ,  *formulation ,  *chemical equilibrium ,  evaporation ,  dependence
Semi thesaurus term： *adsorbate ,  evidence ,  *solid-vapor transition ,  *vapor phase ,  case analysis ,  desorption energy ,  vaporization enthalpy ,  Fermi level pinning ,  *thermodynamic model

JST classification (6)： Crystal structure of other inorganic compounds  (BK07030J) ,  Nonmetallic compounds  (CD01070R) ,  Solid-gos interface in general.  (CB12041H) ,  Chemical thermodynamics of compounds(pure substances)  (CB02023O) ,  Phase equilibrium,phase diagram of one-component systems  (CB03013K) ,  Electronic structure of molecules  (BH05010Q)

Terms in the title (7)： 吸着質 ,  平衡 ,  GaN ,  水素 ,  応用 ,  熱力学 ,  基礎