Transition metal atom doped Ni3S2 as efficient bifunctional electrocatalysts for overall water splitting: Design strategy from DFT studies

2021 ◽  
Vol 516 ◽  
pp. 111955
Author(s):  
Yibo Chen ◽  
Xinyu Zhang ◽  
Jiaqian Qin ◽  
Riping Liu
Keyword(s):  
Transition Metal ◽  
Water Splitting ◽  
Metal Atom ◽  
Design Strategy ◽  
Transition Metal Atom ◽  
Dft Studies ◽  
Overall Water Splitting ◽  
Bifunctional Electrocatalysts

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

Transition metal anchored C2N monolayers as efficient bifunctional electrocatalysts for hydrogen and oxygen evolution reactions

2018 ◽  
Vol 6 (24) ◽  
pp. 11446-11452 ◽  
Author(s):  
Xu Zhang ◽  
An Chen ◽  
Zihe Zhang ◽  
Menggai Jiao ◽  
Zhen Zhou
Keyword(s):  
Transition Metal ◽  
Oxygen Evolution ◽  
Metal Atom ◽  
First Principles ◽  
Transition Metal Atom ◽  
Bifunctional Electrocatalysts

By means of first-principles computations, we screened a series of transition metal atom anchored C2N monolayers (TMx@C2N) as bifunctional electrocatalysts for both HER and OER.

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.

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.

Electronic properties of quasi two-dimensional transition metals chalcogenides with low-dimensional magnetism

Doklady BGUIR ◽  
2020 ◽  
Vol 18 (7) ◽  
pp. 87-95
Author(s):  
M. S. Baranava ◽  
P. A. Praskurava
Keyword(s):  
Transition Metal ◽  
Transition Metals ◽  
Exchange Interaction ◽  
Electronic Properties ◽  
Metal Atom ◽  
Transition Metal Atom ◽  
Two Dimensional ◽  
Transition Metal Atoms ◽  
Ground Magnetic ◽  
Low Dimensional

The search for fundamental physical laws which lead to stable high-temperature ferromagnetism is an urgent task. In addition to the already synthesized two-dimensional materials, there remains a wide list of possible structures, the stability of which is predicted theoretically. The article suggests the results of studying the electronic properties of MAX3 (M = Cr, Fe, A = Ge, Si, X = S, Se, Te) transition metals based compounds with nanostructured magnetism. The research was carried out using quantum mechanical simulation in specialized VASP software and calculations within the Heisenberg model. The ground magnetic states of twodimensional MAX3 and the corresponding energy band structures are determined. We found that among the systems under study, CrGeTe3 is a semiconductor nanosized ferromagnet. In addition, one is a semiconductor with a bandgap of 0.35 eV. Other materials are antiferromagnetic. The magnetic moment in MAX3 is localized on the transition metal atoms: in particular, the main one on the d-orbital of the transition metal atom (and only a small part on the p-orbital of the chalcogen). For CrGeTe3, the exchange interaction integral is calculated. The mechanisms of the formation of magnetic order was established. According to the obtained exchange interaction integrals, a strong ferromagnetic order is formed in the semiconductor plane. The distribution of the projection density of electronic states indicates hybridization between the d-orbital of the transition metal atom and the p-orbital of the chalcogen. The study revealed that the exchange interaction by the mechanism of superexchange is more probabilistic.

Mo and P dual‐doped transition metal‐based free‐standing electrode for overall water splitting

2021 ◽  
Author(s):  
Usman Ali ◽  
Kamran Sohail ◽  
Yuqi Liu ◽  
Xiaodan Yu ◽  
Shuangxi Xing
Keyword(s):  
Transition Metal ◽  
Water Splitting ◽  
Free Standing ◽  
Overall Water Splitting
Sign in / Sign up

Export Citation Format

Share Document