Surface coordination chemistry of graphene: Understanding the coordination of single transition metal atoms
D Grasseschi, WC Silva, R de Souza Paiva… - Coordination Chemistry …, 2020 - Elsevier
The recent advances in single-atom applications have shown that it is possible to
manipulate the materials' properties by controlling its structure at the atomic level …
manipulate the materials' properties by controlling its structure at the atomic level …
Active Surface Structure of SnO2 Catalysts for CO2 Reduction Revealed by Ab Initio Simulations
C Salvini, M Re Fiorentin, F Risplendi… - The Journal of …, 2022 - ACS Publications
Tin oxide (SnO2) is an efficient catalyst for the CO2 reduction reaction (CO2RR) to formic
acid; however, the understanding of the SnO2 surface structure under working …
acid; however, the understanding of the SnO2 surface structure under working …
Facilely synthesized nitrogen-doped reduced graphene oxide functionalized with copper ions as electrocatalyst for oxygen reduction
Nitrogen-doped reduced graphene oxide is successfully synthesized and functionalized with
hydroxylated copper ions via one-pot microwave-assisted route. The presence of cationic …
hydroxylated copper ions via one-pot microwave-assisted route. The presence of cationic …
Imidazole-imidazolate pair as organo-electrocatalyst for CO2 reduction on ZIF-8 material
D Sassone, S Bocchini, M Fontana, C Salvini, G Cicero… - Applied Energy, 2022 - Elsevier
The electrochemical reduction of CO 2 to value-added products is hindered by its
thermodynamic stability and by the large energy required to chemically activate the …
thermodynamic stability and by the large energy required to chemically activate the …
First-principles calculations of exciton radiative lifetimes in monolayer graphitic carbon nitride nanosheets: implications for photocatalysis
In this work, we report on the exciton radiative lifetimes of graphitic carbon nitride
monolayers in the triazine-based (gC3N4-t) and heptazine-based (gC3N4-h) forms, as …
monolayers in the triazine-based (gC3N4-t) and heptazine-based (gC3N4-h) forms, as …
Density functional theory studies of oxygen reduction reaction for hydrogen peroxide generation on graphene-based catalysts
The two-electron pathway of the oxygen reduction reaction has been gaining attention from
the scientific community due to its capability of forming radical hydroxyl. In addition, it is a …
the scientific community due to its capability of forming radical hydroxyl. In addition, it is a …
Graphene oxide quantum dots immobilized on mesoporous silica: preparation, characterization and electroanalytical application
Because of its high surface area and combination of various functional groups, graphene
oxide (GO) is currently one of the most actively studied materials for electroanalytical …
oxide (GO) is currently one of the most actively studied materials for electroanalytical …
CO2 electroreduction performance of transition metals supported on gC (CN) 3 monolayer with specific TMN3 active sites
C Wang, DH Zhang, WH Zheng, CY Zhu, M Zhang… - Applied Surface …, 2022 - Elsevier
Electrochemical reduction of CO 2 (CO 2 RR) represents a fascinating route for converting
atmospheric CO 2 to valuable chemicals, and a variety of intermediates are involved in the …
atmospheric CO 2 to valuable chemicals, and a variety of intermediates are involved in the …
Structural, electronic, and mechanical properties of transition metal porphyrin-like graphenes, and their application in hydroxylation of methane
This study employs density functional theory to investigate the structural, electronic, and
mechanical properties of Co, Fe, and Ni Porphyrin-Like Graphene (N4-G) structures. The …
mechanical properties of Co, Fe, and Ni Porphyrin-Like Graphene (N4-G) structures. The …