Systematic screening of transition-metal-doped hydroxyapatite for efficient photocatalytic CO2 reduction

Systematic screening of transition-metal-doped hydroxyapatite for efficient photocatalytic CO2 reduction

We present the first comprehensive investigation of transition metal-substituted Hydroxyapatite (TM-HAP) materials for photocatalytic CO2 reduction (CO2RR). Density functional theory (DFT) was used to study in a systematic manner the stability of 3d, 4d, 5d transition metal dopants on the HAP (000̅1...

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Bibliographic Details
Main Authors: Yuting Li, Daniel Bahamon, Josep Albero, Núria López, Lourdes F. Vega
Format: Article
Language:English
Published: Elsevier 2024-02-01
Series:Journal of CO2 Utilization
Subjects:
CO2 photoreduction
Density Functional Theory
Transition metal dopants
Hydroxyapatite
Online Access:http://www.sciencedirect.com/science/article/pii/S2212982024000271

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http://www.sciencedirect.com/science/article/pii/S2212982024000271

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