Chemisorbed molecules under potential bias: Detailed insights from first-principles vibrational spectroscopies

Electrochimica Acta

Volumn 121, Issue , 2014, Pages 210-214

  Bonnet, Nicéphore ^a   Dabo, Ismaila ^b   Marzari, Nicola ^c  

^a Massachusetts Institute of Technology Cambridge   (United States)

^b PENNSYLVANIA STATE UNIVERSITY   (United States)

^c EPFL   (Switzerland)

Author keywords

DFT; IR spectroscopy; Stark effect

Indexed keywords

CHEMISORBED MOLECULES; DFT; ELECTROCHEMICAL FACTORS; ELECTROSTATIC SCREENING; FIRST PRINCIPLES; FREQUENCY SHIFT; PLATINUM ELECTRODES; VIBRATIONAL RESPONSE;

CARBON MONOXIDE; CHEMISORPTION; ELECTROSTATICS; INFRARED SPECTROSCOPY; STARK EFFECT;

MOLECULES;

EID: 84892749861     PISSN: 00134686     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.electacta.2013.12.115     Document Type: Article

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