Designed Single Atom Bifunctional Electrocatalysts for Overall Water Splitting: 3 d Transition Metal Atoms Doped Borophene Nanosheets

ChemPhysChem ◽  
2020 ◽  
Vol 21 (24) ◽  
pp. 2651-2659
Author(s):  
Mingxia Xu ◽  
Xiuyun Zhang ◽  
Yaqi Liu ◽  
Xinli Zhao ◽  
Yongjun Liu ◽  
...  
Keyword(s):  
Transition Metal ◽  
Water Splitting ◽  
Single Atom ◽  
Overall Water Splitting ◽  
Metal Atoms ◽  
Bifunctional Electrocatalysts ◽  
Transition Metal Atoms

First-principles screening of single transition metal atoms anchored on two-dimensional C9N4 for the nitrogen reduction reaction

2021 ◽  
Vol 23 (14) ◽  
pp. 8784-8791
Author(s):  
Qingling Meng ◽  
Ling Zhang ◽  
Jinge Wu ◽  
Shuwei Zhai ◽  
Xiamin Hao ◽  
...  
Keyword(s):  
Nitrogen Fixation ◽  
Transition Metal ◽  
First Principles ◽  
Reduction Reaction ◽  
Single Atom ◽  
Two Dimensional ◽  
Metal Atoms ◽  
Transition Metal Atoms ◽  
Catalytically Active ◽  
Single Transition

Theoretical screening of transition metal atoms anchored on monolayer C9N4 as highly stable, catalytically active and selective single-atom catalysts for nitrogen fixation.

Graphdiyne coordinated transition metals as single-atom catalysts for nitrogen fixation

2020 ◽  
Vol 22 (17) ◽  
pp. 9216-9224 ◽  
Author(s):  
Zhen Feng ◽  
Yanan Tang ◽  
Weiguang Chen ◽  
Yi Li ◽  
Renyi Li ◽  
...  
Keyword(s):  
Nitrogen Fixation ◽  
Transition Metal ◽  
Transition Metals ◽  
Single Atom ◽  
Metal Atoms ◽  
Transition Metal Atoms ◽  
Single Transition

2D graphdiyne is a superior candidate for dispersing single transition metal atoms, which can be used as SACs for nitrogen fixation.

Recent advances in transition-metal-sulfide-based bifunctional electrocatalysts for overall water splitting

2021 ◽  
Author(s):  
Min Wang ◽  
Li Zhang ◽  
Yijia He ◽  
Hongwei Zhu
Keyword(s):  
Transition Metal ◽  
Water Splitting ◽  
Metal Sulfide ◽  
Water Electrolysis ◽  
Practical Application ◽  
Transition Metal Sulfide ◽  
Overall Water Splitting ◽  
Recent Advances ◽  
Bifunctional Electrocatalysts

This review summarizes recent advances relating to transition metal sulfide (TMS)-based bifunctional electrocatalysts, providing guidelines for the design and fabrication of TMS-based catalysts for practical application in water electrolysis.

scholarly journals Computational Study of the Curvature-Promoted Anchoring of Transition Metals for Water Splitting

Nanomaterials ◽  
2021 ◽  
Vol 11 (12) ◽  
pp. 3173
Author(s):  
Weiwei Liu ◽  
Youchao Kong ◽  
Bo Wang ◽  
Xiaoshuang Li ◽  
Pengfei Liu ◽  
...  
Keyword(s):  
Transition Metal ◽  
Water Splitting ◽  
Computational Study ◽  
Transition Metal Dichalcogenides ◽  
Single Atom ◽  
Potential Candidate ◽  
Practical Applications ◽  
Small Areas ◽  
Transition Metal Atoms ◽  
Metal Dichalcogenides

Generating clean and sustainable hydrogen from water splitting processes represent a practical alternative to solve the energy crisis. Ultrathin two-dimensional materials exhibit attractive properties as catalysts for hydrogen production owing to their large surface-to-volume ratios and effective chemisorption sites. However, the catalytically inactive surfaces of the transition metal dichalcogenides (TMD) possess merely small areas of active chemical sites on the edge, thus decreasing their possibilities for practical applications. Here, we propose a new class of out-of-plane deformed TMD (cTMD) monolayer to anchor transition metal atoms for the activation of the inert surface. The calculated adsorption energy of metals (e.g., Pt) on curved MoS2 (cMoS2) can be greatly decreased by 72% via adding external compressions, compared to the basal plane. The enlarged diffusion barrier energy indicates that cMoS2 with an enhanced fixation of metals could be a potential candidate as a single atom catalyst (SAC). We made a well-rounded assessment of the hydrogen evolution reaction (HER) and the oxygen evolution reaction (OER), which are two key processes in water splitting. The optimized Gibbs free energy of 0.02 for HER and low overpotential of 0.40 V for OER can be achieved when the proper compression and supported metals are selected. Our computational results provide inspiration and guidance towards the experimental design of TMD-based SACs.

A general approach to the synthesis of transition metal phosphide nanoarrays on MXene nanosheets for pH-universal hydrogen evolution and alkaline overall water splitting

2020 ◽  
Vol 8 (28) ◽  
pp. 14234-14242 ◽  
Author(s):  
Liang Yan ◽  
Bing Zhang ◽  
Shangyou Wu ◽  
Jianlin Yu
Keyword(s):  
Transition Metal ◽  
Hydrogen Evolution ◽  
Water Splitting ◽  
Noble Metal ◽  
Metal Phosphide ◽  
Highly Efficient ◽  
Overall Water Splitting ◽  
Bifunctional Electrocatalysts ◽  
Transition Metal Phosphide

Exploring highly efficient, stable, and non-noble-metal bifunctional electrocatalysts for overall water splitting is greatly desired but still remains an ongoing challenge.

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