Published 2016 | Version v1
Miscellaneous Open

Combining molecular dynamics simulations and first-principles calculations to understand the structural and spectroscopy properties of Ru-based CO2 reduction electrocatalyst in aqueous environment

Creators

  • 1. Universidade Federal Fluminense (UFF), Niteroi, RJ (Brazil)
  • 2. Uppsala University (Sweden)
  • 3. Universidad de Sevilla (Spain)

Description

no abstract available

Files

49046968.pdf

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Additional details

Publishing Information

Imprint Pagination
2 p.
Report number
INIS-BR--20476

Conference

Title
15. Brazilian MRS meeting
Dates
25-29 Sep 2016
Place
Campinas, SP (Brazil)

INIS

Country of Publication
Brazil
Country of Input or Organization
Brazil
INIS RN
49046968
Subject category
S36: MATERIALS SCIENCE;
Resource subtype / Literary indicator
No Abstract, Conference
Descriptors DEI
AQUEOUS SOLUTIONS; BORN-OPPENHEIMER APPROXIMATION; CARBON DIOXIDE; ELECTROCATALYSTS; MOLECULAR DYNAMICS METHOD; REDUCTION; RUTHENIUM; V CODES; X-RAY PHOTOELECTRON SPECTROSCOPY; X-RAY SPECTROSCOPY
Descriptors DEC
APPROXIMATIONS; CALCULATION METHODS; CARBON COMPOUNDS; CARBON OXIDES; CATALYSTS; CHALCOGENIDES; CHEMICAL REACTIONS; COMPUTER CODES; DISPERSIONS; ELECTRON SPECTROSCOPY; ELEMENTS; HOMOGENEOUS MIXTURES; METALS; MIXTURES; OXIDES; OXYGEN COMPOUNDS; PHOTOELECTRON SPECTROSCOPY; PLATINUM METALS; REFRACTORY METALS; SOLUTIONS; SPECTROSCOPY; TRANSITION ELEMENTS