scholarly journals pH-Dependent Electrochemically Catalyzed Oxygen Reduction Behaviors of o-Substituted Co (III) Corroles Research Data.pdf

2020 ◽  
Author(s):  
Wei Tang ◽  
Yunyuan Qiu ◽  
Xiaonan Li ◽  
Rodah C. Soy ◽  
John Mack ◽  
...  
Keyword(s):  
Transition Metal ◽  
Oxygen Reduction ◽  
Co2 Reduction ◽  
Catalytic Efficiency ◽  
Molecular Structures ◽  
Earth Abundant ◽  
Fundamental Research ◽  
Ph Dependent ◽  
Macrocyclic Cavity ◽  
Electrochemical Catalysts

<p>Supporting Information for article. </p> <p>Earth-abundant first row transition metal corrole complexes have played an important role in fundamental research due to their unique molecular structures and attractive properties. In comparison to porphyrins, corroles have three inner N-H protons and are ring-contracted with a smaller macrocyclic cavity. First row transition metal corroles have been widely used as effective electrochemical catalysts for small molecule activations, such as hydrogen evolution, oxygen reduction/evolution and CO2 reduction reactions (HERs, ORRs/OERs and CO2 RRs) through homogenous and/or heterogenous prodecures. Several strategies have been used to modulate the catalytic efficiency of synthetic metallocorroles.</p>

scholarly journals pH-Dependent Electrochemically Catalyzed Oxygen Reduction Behaviors of o-Substituted Co (III) Corroles Research Data.pdf

2020 ◽  
Author(s):  
Wei Tang ◽  
Yunyuan Qiu ◽  
Xiaonan Li ◽  
Rodah C. Soy ◽  
John Mack ◽  
...  
Keyword(s):  
Transition Metal ◽  
Oxygen Reduction ◽  
Co2 Reduction ◽  
Catalytic Efficiency ◽  
Molecular Structures ◽  
Earth Abundant ◽  
Fundamental Research ◽  
Ph Dependent ◽  
Macrocyclic Cavity ◽  
Electrochemical Catalysts

<p>Supporting Information for article. </p> <p>Earth-abundant first row transition metal corrole complexes have played an important role in fundamental research due to their unique molecular structures and attractive properties. In comparison to porphyrins, corroles have three inner N-H protons and are ring-contracted with a smaller macrocyclic cavity. First row transition metal corroles have been widely used as effective electrochemical catalysts for small molecule activations, such as hydrogen evolution, oxygen reduction/evolution and CO2 reduction reactions (HERs, ORRs/OERs and CO2 RRs) through homogenous and/or heterogenous prodecures. Several strategies have been used to modulate the catalytic efficiency of synthetic metallocorroles.</p>

scholarly journals Rationally designed transition metal hydroxide nanosheet arrays on graphene for artificial CO2 reduction

2020 ◽  
Vol 11 (1) ◽  
Author(s):  
Kang-Qiang Lu ◽  
Yue-Hua Li ◽  
Fan Zhang ◽  
Ming-Yu Qi ◽  
Xue Chen ◽  
...  
Keyword(s):  
Transition Metal ◽  
Active Sites ◽  
Co2 Reduction ◽  
Superior Performance ◽  
Metal Hydroxides ◽  
Nanosheet Arrays ◽  
Earth Abundant ◽  
Adsorption Of Co ◽  
Enhanced Adsorption ◽  
Transition Metal Hydroxides

Abstract The performance of transition metal hydroxides, as cocatalysts for CO2 photoreduction, is significantly limited by their inherent weaknesses of poor conductivity and stacked structure. Herein, we report the rational assembly of a series of transition metal hydroxides on graphene to act as a cocatalyst ensemble for efficient CO2 photoreduction. In particular, with the Ru-dye as visible light photosensitizer, hierarchical Ni(OH)2 nanosheet arrays-graphene (Ni(OH)2-GR) composites exhibit superior photoactivity and selectivity, which remarkably surpass other counterparts and most of analogous hybrid photocatalyst system. The origin of such superior performance of Ni(OH)2-GR is attributed to its appropriate synergy on the enhanced adsorption of CO2, increased active sites for CO2 reduction and improved charge carriers separation/transfer. This work is anticipated to spur rationally designing efficient earth-abundant transition metal hydroxides-based cocatalysts on graphene and other two-dimension platforms for artificial reduction of CO2 to solar chemicals and fuels.

Dimers, monomers and pentacoordination in a series of earth-abundant transition metal dibromido complexes supported by a neutral SNS ligand framework

Polyhedron ◽  
2018 ◽  
Vol 154 ◽  
pp. 252-258
Author(s):  
Yasmeen Hameed ◽  
Sarah Ouanounou ◽  
Titel Jurca ◽  
Bulat Gabidullin ◽  
Ilia Korobkov ◽  
...  
Keyword(s):  
Transition Metal ◽  
Earth Abundant ◽  
Sns Ligand

Engineering Sulfur Vacancies into Fe9S10 Nanosheet Arrays for Efficient Alkaline Hydrogen Evolution

Nanoscale ◽  
2021 ◽  
Author(s):  
Wenjun He ◽  
Jianing Cheng ◽  
Yaohui Gao ◽  
Caichi Liu ◽  
Jianling Zhao ◽  
...  
Keyword(s):  
Transition Metal ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Metal Sulfides ◽  
Transition Metal Sulfides ◽  
Nanosheet Arrays ◽  
Excellent Activity ◽  
Earth Abundant ◽  
Iron Based

The development of earth-abundant transition metal sulfides electrocatalysts with excellent activity and stability toward alkaline hydrogen evolution reaction (HER) is critical but challenging. Iron-based sulfides are favored due to their...

scholarly journals Probing the activity of transition metal M and heteroatom N4 co-doped in vacancy fullerene (M–N4–C64, M = Fe, Co, and Ni) towards the oxygen reduction reaction by density functional theory

RSC Advances ◽  
2021 ◽  
Vol 11 (5) ◽  
pp. 3174-3182
Author(s):  
Siwei Yang ◽  
Chaoyu Zhao ◽  
Ruxin Qu ◽  
Yaxuan Cheng ◽  
Huiling Liu ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Transition Metal ◽  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
Density Functional ◽  
Reduction Reaction ◽  
Functional Theory ◽  
Co Doped

In this study, a novel type oxygen reduction reaction (ORR) electrocatalyst is explored using density functional theory (DFT); the catalyst consists of transition metal M and heteroatom N4 co-doped in vacancy fullerene (M–N4–C64, M = Fe, Co, and Ni).

scholarly journals 1,3,5-Triaza-7-Phosphaadamantane (PTA) as a 31P NMR Probe for Organometallic Transition Metal Complexes in Solution

Molecules ◽  
2021 ◽  
Vol 26 (5) ◽  
pp. 1390 ◽  
Author(s):  
Ilya G. Shenderovich
Keyword(s):  
Chemical Shift ◽  
Transition Metal ◽  
Metal Complexes ◽  
Transition Metal Complexes ◽  
Density Functional ◽  
Molecular Structures ◽  
Basis Sets ◽  
Functional Theory ◽  
Non Covalent Interactions ◽  
Covalent Interactions

Due to the rigid structure of 1,3,5-triaza-7-phosphaadamantane (PTA), its 31P chemical shift solely depends on non-covalent interactions in which the molecule is involved. The maximum range of change caused by the most common of these, hydrogen bonding, is only 6 ppm, because the active site is one of the PTA nitrogen atoms. In contrast, when the PTA phosphorus atom is coordinated to a metal, the range of change exceeds 100 ppm. This feature can be used to support or reject specific structural models of organometallic transition metal complexes in solution by comparing the experimental and Density Functional Theory (DFT) calculated values of this 31P chemical shift. This approach has been tested on a variety of the metals of groups 8–12 and molecular structures. General recommendations for appropriate basis sets are reported.

Active site engineering of atomically dispersed transition metal-heteroatom-carbon catalysts for oxygen reduction

2021 ◽  
Author(s):  
Jiawei Zhu ◽  
Shichun Mu
Keyword(s):  
Transition Metal ◽  
Oxygen Reduction ◽  
Active Site ◽  
Catalytic Reactions ◽  
Single Atom ◽  
Carbon Catalysts

Owing to the advantage of atomic utilization, the single-atom catalyst has attracted much attention and been employed in multifarious catalytic reactions. Their definite site configuration is favorable for exploring the...

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