Acetylenic bond-driven efficient hydrogen production of a graphdiyne based catalyst

3D acetylenic bonds distributing makes tetraphenyl methane substitute graphdiyne (TPM-GDY) show more active sites and high hydrogen evolution reaction performance.

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Surface Modifications of 2D-Ti3C2O2 by Nonmetal Doping for Obtaining High Hydrogen Evolution Reaction Activity: A Computational Approach

Catalysts ◽

10.3390/catal11020161 ◽

2021 ◽

Vol 11 (2) ◽

pp. 161

Author(s):

Fangtao Li ◽

Xiaoxu Wang ◽

Rongming Wang

Keyword(s):

Catalytic Activity ◽

Hydrogen Evolution ◽

Hydrogen Evolution Reaction ◽

Active Sites ◽

High Performance ◽

Hydrogen Adsorption ◽

Low Cost ◽

Level Shift ◽

High Hydrogen ◽

Catalytic Active Sites

As a typical two-dimensional (2D) MXene, Ti3C2O2 has been considered as a potential material for high-performance hydrogen evolution reaction (HER) catalyst, due to its anticorrosion and hydrophilic surface. However, it is still a challenge to improve the Ti3C2O2 surficial HER catalytic activity. In this work, we investigated the HER activity of Ti3C2O2 after the surface was doped with S, Se, and Te by the first principles method. The results indicated that the HER activity of Ti3C2O2 is improved after being doped with S, Se, Te because the Gibbs free energy of hydrogen adsorption (ΔGH) is increased from −2.19 eV to 0.08 eV. Furthermore, we also found that the ΔGH of Ti3C2O2 increased from 0.182 eV to 0.08 eV with the doping concentration varied from 5.5% to 16.7%. The HER catalytic activity improvement of Ti3C2O2 is attributed to the local crystal structure distortion in catalytic active sites and Fermi level shift leads to the p-d orbital hybridization. Our results pave a new avenue for preparing a low-cost and high performance HER catalyst.

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MoC based Mott–Schottky electrocatalyst for boosting the hydrogen evolution reaction performance

Sustainable Energy & Fuels ◽

10.1039/c9se00897g ◽

2020 ◽

Vol 4 (1) ◽

pp. 407-416 ◽

Cited By ~ 2

Author(s):

Xinyang Ji ◽

Kaixuan Wang ◽

Yao Zhang ◽

Haohao Sun ◽

Yuanyuan Zhang ◽

...

Keyword(s):

Hydrogen Production ◽

Hydrogen Evolution ◽

Hydrogen Evolution Reaction ◽

Water Electrolysis ◽

Practical Application ◽

Urgent Task ◽

Reaction Performance

Searching for promising HER electrocatalysts is an urgent task for the practical application of hydrogen production by water electrolysis.

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Pt Edge‐Doped MoS 2 : Activating the Active Sites for Maximized Hydrogen Evolution Reaction Performance

Small ◽

10.1002/smll.202104245 ◽

2021 ◽

pp. 2104245

Author(s):

Liyuan Pei ◽

Haohui Qiao ◽

Bin Chen ◽

Xiaodong Zhu ◽

Ruth Anaya Davis ◽

...

Keyword(s):

Hydrogen Evolution ◽

Hydrogen Evolution Reaction ◽

Active Sites ◽

Reaction Performance

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Intermetallic compounds with high hydrogen evolution reaction performance: a case study of a MCo2 (M = Ti, Zr, Hf and Sc) series

Chemical Communications ◽

10.1039/c9cc07391d ◽

2019 ◽

Vol 55 (96) ◽

pp. 14406-14409 ◽

Cited By ~ 4

Author(s):

Peng Zhang ◽

Huai-Guo Xue ◽

Nian-Tzu Suen

Keyword(s):

Intermetallic Compounds ◽

Hydrogen Evolution ◽

Hydrogen Evolution Reaction ◽

Noble Metals ◽

High Price ◽

High Hydrogen ◽

Reaction Performance

Noble metals (e.g., Ru, Ir and Pt) or their derivatives exhibit very appealing activity toward the hydrogen evolution reaction (HER), but their high price and low reserves impede their wide use.

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