Towards First Principles-Based Prediction of Highly Accurate Electrochemical Pourbaix Diagrams

Journal of Physical Chemistry C

Volumn 119, Issue 32, 2015, Pages 18177-18187

  Zeng, Zhenhua ^a   Chan, Maria K Y ^b   Zhao, Zhi Jian ^a   Kubal, Joseph ^a   Fan, Dingxin ^a   Greeley, Jeffrey ^a  

^a Purdue University   (United States)

^b ARGONNE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CATALYSIS; CORROSION; ELECTROCATALYSIS; ERRORS; FORECASTING; MANGANESE; METALS; PHASE DIAGRAMS; THERMODYNAMICS; TRANSITION METAL COMPOUNDS; TRANSITION METALS; VAN DER WAALS FORCES;

ACCURATE ANALYSIS; DISPERSION CORRECTION; ELECTROCHEMICAL POTENTIAL; ELECTROCHEMICAL PROCESS; POURBAIX DIAGRAM; SELF-INTERACTION ERROR; STATE OF THE ART; VAN DER WAALS INTERACTIONS;

GRAPHIC METHODS;

EID: 84939126557     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/acs.jpcc.5b03169     Document Type: Article

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