Solvated protons in density functional theory - A few examples

Electrochimica Acta

Volumn 105, Issue , 2013, Pages 248-253

  Quaino, P ^a   Luque, N B ^b   Soldano, G ^b   Nazmutdinov, R ^d   Santos, E ^b,c   Roman, T ^b   Lundin, A ^e   Gross A ^b   Schmickler, W ^b  

^a UNIVERSIDAD NACIONAL DEL LITORAL   (Argentina)

^b UNIVERSITY OF ULM   (Germany)

^c UNIVERSIDAD NACIONAL DE CÓRDOBA   (Argentina)

^d KAZAN NATIONAL RESEARCH TECHNOLOGICAL UNIVERSITY   (Russian Federation)

^e CHALMERS UNIVERSITY OF TECHNOLOGY   (Sweden)

Author keywords

DFT; Eigen ion; Proton; Water bilayer; Zundel ion

Indexed keywords

IONS; PROTONS;

A-PLANE; BI-LAYER; DFT CALCULATION; ELECTROCHEMICAL INTERFACE; METAL BILAYERS; METAL SURFACES; POSITIVE CHARGES; SOLVATED PROTONS;

DENSITY FUNCTIONAL THEORY;

EID: 84878408124     PISSN: 00134686     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.electacta.2013.04.084     Document Type: Article

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