A First-Principles Study of CO<sub>2</sub> Hydrogenation on a Niobium-Terminated NbC (111) Surface.

Sarabadani Tafreshi, Saeedeh; Ranjbar, Mahkameh; Taghizade, Narges; Panahi, S F K S; Jamaati, Maryam; de Leeuw, Nora H

A First-Principles Study of CO₂ Hydrogenation on a Niobium-Terminated NbC (111) Surface.

Sarabadani Tafreshi, Saeedeh; Ranjbar, Mahkameh; Taghizade, Narges; Panahi, S F K S; Jamaati, Maryam; de Leeuw, Nora H.

Afiliação

Sarabadani Tafreshi S; Department of Chemistry, Amirkabir University of Technology (Tehran Polytechnic), No. 350, Hafez Avenue, Valiasr Square, 1591634311, Tehran, Iran.
Ranjbar M; Department of Chemistry, Amirkabir University of Technology (Tehran Polytechnic), No. 350, Hafez Avenue, Valiasr Square, 1591634311, Tehran, Iran.
Taghizade N; Department of Physics, Iran University of Science and Technology, Narmak, 16846-13114, Tehran, Iran.
Panahi SFKS; Department of Physics, Iran University of Science and Technology, Narmak, 16846-13114, Tehran, Iran.
Jamaati M; Department of Physics, Iran University of Science and Technology, Narmak, 16846-13114, Tehran, Iran.
de Leeuw NH; School of Chemistry, Cardiff University, Main Building, Park Place, CF10 3AT, Cardiff, UK.

Chemphyschem ; 23(6): e202100781, 2022 Mar 18.

Article em En | MEDLINE | ID: mdl-35040247

Palavras-chave

CO2 hydrogenation; density functional theory; first-principles calculations; niobium; transition metal carbide

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2022 Tipo de documento: Article

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2022 Tipo de documento: Article