Achieving high hydrogen evolution reaction activity of a Mo2C monolayer

2020 ◽  
Vol 22 (45) ◽  
pp. 26189-26199
Author(s):  
Huan Lou ◽  
Tong Yu ◽  
Jiani Ma ◽  
Shoutao Zhang ◽  
Aitor Bergara ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
High Stability ◽  
Low Cost ◽  
Two Dimensional ◽  
High Hydrogen

Two-dimensional Mo2C materials (1T and 2H phases) have emerged as promising electrocatalysts for the hydrogen evolution reaction (HER) due to their low cost, inherent metallicity, and high stability.

scholarly journals A monodispersed CuPt alloy: synthesis and its superior catalytic performance in the hydrogen evolution reaction over a full pH range

RSC Advances ◽  
2021 ◽  
Vol 11 (21) ◽  
pp. 12470-12475
Author(s):  
Xinmei Liu ◽  
Chen Liang ◽  
Wenlong Yang ◽  
Chunyang Yang ◽  
Jiaqi Lin ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
High Stability ◽  
Low Cost ◽  
Catalytic Performance ◽  
Ph Range

An effective approach to achieve the low cost and high stability of electro-catalysts for HER.

Sulfur doping enhanced desorption of intermediates on NiCoP for efficient alkaline hydrogen evolution

Nanoscale ◽  
2020 ◽  
Vol 12 (3) ◽  
pp. 1985-1993 ◽  
Author(s):  
Yuyang Qi ◽  
Long Zhang ◽  
Lan Sun ◽  
Guanjun Chen ◽  
Qiaomei Luo ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
High Stability ◽  
Low Cost ◽  
High Catalytic Activity ◽  
Sulfur Doping

Electrocatalysts with high catalytic activity, high stability and low cost are critical to the hydrogen evolution reaction (HER).

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

Catalysts ◽  
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.

The mechanism of hydrogen adsorption on transition metal dichalcogenides as hydrogen evolution reaction catalyst

2017 ◽  
Vol 19 (15) ◽  
pp. 10125-10132 ◽  
Author(s):  
Jinsong Wang ◽  
Jia Liu ◽  
Bao Zhang ◽  
Xiao Ji ◽  
Kui Xu ◽  
...  
Keyword(s):  
Transition Metal ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Hydrogen Adsorption ◽  
Low Cost ◽  
Transition Metal Dichalcogenides ◽  
Electrochemical Stability ◽  
Two Dimensional ◽  
Metal Dichalcogenides

Two-dimensional transition metal dichalcogenides (TMDs) have been widely considered as potential hydrogen evolution reaction (HER) catalysts because of their low cost and good electrochemical stability in acid conditions.

scholarly journals Substrate Effect on Hydrogen Evolution Reaction in Two-Dimensional Mo2C Monolayers

2021 ◽  
Author(s):  
Sujin Lee ◽  
Byungjoon Min ◽  
Junhyeok Bang
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Chemical Properties ◽  
Substrate Effect ◽  
Two Dimensional ◽  
High Hydrogen ◽  
Valence Electrons ◽  
Cu Substrates ◽  
Physical And Chemical ◽  
Low Activity

Abstract The physical and chemical properties of atomically thin two-dimensional (2D) materials can be modified by the substrates. In this study, the substrate effect on the electrocatalytic hydrogen evolution reaction (HER) in 2D Mo2C monolayers was investigated using first principles calculations. The isolated Mo2C monolayer shows large variation in HER activity depending on hydrogen coverage: it has relatively low activity at low hydrogen coverage but high activity at high hydrogen coverage. Ag, Au, Cu, and graphene were used as substrates to study the substrate effect. While the effects of the Au and graphene substrates on the HER activity are insignificant, Ag and Cu substrates improve the HRE activity, especially at low hydrogen coverage, by modifying the valence electrons in the Mo2C layer; therefore, the HER activity of the Mo2C monolayer becomes high for any hydrogen coverage. Our results suggest that, in two-dimensional electrocatalysis, the substrate has a degree of freedom to tune the catalytic activity.

Recent development of two-dimensional metal–organic framework derived electrocatalysts for hydrogen and oxygen electrocatalysis

Nanoscale ◽  
2020 ◽  
Vol 12 (36) ◽  
pp. 18497-18522 ◽  
Author(s):  
Hengbo Wu ◽  
Jie Wang ◽  
Wei Jin ◽  
Zexing Wu
Keyword(s):  
Oxygen Reduction Reaction ◽  
Hydrogen Evolution ◽  
Oxygen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Oxygen Evolution Reaction ◽  
Low Cost ◽  
Metal Organic Framework ◽  
Reduction Reaction ◽  
Two Dimensional ◽  
Metal Organic

Developing efficient and low-cost electrocatalysts with unique nanostructures is of great significance for improved electrocatalytic reactions, including the hydrogen evolution reaction (HER), oxygen evolution reaction (OER), and oxygen reduction reaction (ORR).

2,2’-Dipyridylamine as Organic Molecular Electrocatalyst for Hydrogen Evolution Reaction in Acidic Electrolytes

2019 ◽  
Author(s):  
Xi Yin ◽  
Ling Lin ◽  
Hoon T. Chung ◽  
Ulises Martinez ◽  
Andrew M. Baker ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Density Functional ◽  
Low Cost ◽  
Membrane Electrode Assembly ◽  
Carbon Surface ◽  
Membrane Electrode ◽  
Durability Test ◽  
Onset Potential ◽  
Precious Metal Catalysts

Finding a low-cost and stable electrocatalyst for hydrogen evolution reaction (HER) as a replacement for scarce and expensive precious metal catalysts has attracted significant interest from chemical and materials research communities. Here, we demonstrate an organic catalyst based on 2,2’-dipyridylamine (dpa) molecules adsorbed on carbon surface, which shows remarkable hydrogen evolution activity and performance durability in strongly acidic polymer electrolytes without involving any metal. The HER onset potential at dpa adsorbed on carbon has been found to be less than 50 mV in sulfuric acid and in a Nafion-based membrane electrode assembly (MEA). At the same time, this catalyst has shown no performance loss in a 60-hour durability test. The HER reaction mechanisms and the low onset overpotential in this system are revealed based on electrochemical study. Density functional theory (DFT) calculations suggest that the pyridyl-N functions as the active site for H adsorption with a free energy of -0.13 eV, in agreement with the unusually low onset overpotential for an organic molecular catalyst.<br>

2,2’-Dipyridylamine as Organic Molecular Electrocatalyst for Hydrogen Evolution Reaction in Acidic Electrolytes

2019 ◽  
Author(s):  
Xi Yin ◽  
Ling Lin ◽  
Hoon T. Chung ◽  
Ulises Martinez ◽  
Andrew M. Baker ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Density Functional ◽  
Low Cost ◽  
Membrane Electrode Assembly ◽  
Carbon Surface ◽  
Membrane Electrode ◽  
Durability Test ◽  
Onset Potential ◽  
Precious Metal Catalysts

Finding a low-cost and stable electrocatalyst for hydrogen evolution reaction (HER) as a replacement for scarce and expensive precious metal catalysts has attracted significant interest from chemical and materials research communities. Here, we demonstrate an organic catalyst based on 2,2’-dipyridylamine (dpa) molecules adsorbed on carbon surface, which shows remarkable hydrogen evolution activity and performance durability in strongly acidic polymer electrolytes without involving any metal. The HER onset potential at dpa adsorbed on carbon has been found to be less than 50 mV in sulfuric acid and in a Nafion-based membrane electrode assembly (MEA). At the same time, this catalyst has shown no performance loss in a 60-hour durability test. The HER reaction mechanisms and the low onset overpotential in this system are revealed based on electrochemical study. Density functional theory (DFT) calculations suggest that the pyridyl-N functions as the active site for H adsorption with a free energy of -0.13 eV, in agreement with the unusually low onset overpotential for an organic molecular catalyst.<br>

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