FantaQMCcopperCO2024

Name: FantaQMCcopperCO2024
Creator: Fanta, Roman; Bajdich, Michal
Published: 2025-01-18T00:00:00+08:00

Figshare2025-01-18 更新2026-04-08 收录

量子蒙特卡洛计算

电催化CO2还原

数据链接：

https://figshare.com/articles/dataset/FantaQMCcopperCO2024/28232996/1 数据链接链接失效反馈

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资源简介：

All calculated energies and geometries for the article <b>Resolution of selectivity steps of CO reduction reaction on copper by quantum Monte Carlo</b>.

提供机构：

Fanta, Roman; Bajdich, Michal

创建时间：

2025-01-18

Supramolecular Assembly Promotes the Electrocatalytic Reduction of Carbon Dioxide by Re(I) Bipyridine Catalysts at a Lower Overpotential

电催化CO2还原

催化剂设计

The addition of methyl acetamidomethyl groups at the 4,4′-positions of a 2,2′-bipyridyl ligand is found to enhance the rate of a bimolecular reduction mechanism of CO2 by ReI fac-tricarbonyl chloride

NIAID Data Ecosystem70

Computational Study of an Iron(II) Polypyridine Electrocatalyst for CO 2 Reduction: Key Roles for Intramolecular Interactions in CO 2 Binding and Proton Transfer

电催化CO2还原

反应机理

A solar-driven conversion of CO2 into fuels by artificial photosynthesis would not only mitigate the greenhouse effect but also provide an alternative to obtain fuels in a renewable fashion. To this e

NIAID Data Ecosystem30

DOIs of the papers related to CO2 electroreduction

电催化CO2还原

能源转换

A DOIs list related to Co2 electroreduction

科学数据银行2022-12-22 更新10

Manganese Catalysts with Bulky Bipyridine Ligands for the Electrocatalytic Reduction of Carbon Dioxide: Eliminating Dimerization and Altering Catalysis

电催化CO2还原

催化剂设计

With the goal of improving previously reported Mn bipyridine electrocatalysts in terms of increased activity and reduced overpotential, a bulky bipyridine ligand, 6,6′-dimesityl-2,2′-bipyridine (mesbp

NIAID Data Ecosystem70

Raw data for the article "Size-Dependent Structural Alterations in Ag Nanoparticles During CO2 Electrolysis in a Gas-Fed Zero-Gap Electrolyzer"

电催化CO2还原

催化剂稳定性

In the article "Size-Dependent Structural Alterations in Ag Nanoparticles During CO2 Electrolysis in a Gas-Fed Zero-Gap Electrolyzer" we described our investigation on the size-dependent degradation b

Zenodo2022-09-11 更新20

FantaQMCcopperCO2024

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