A phosphorene-like InP3 monolayer: structure, stability, and catalytic properties toward the hydrogen evolution reaction

2020 ◽  
Vol 8 (3) ◽  
pp. 1307-1314 ◽  
Author(s):  
Abdul Jalil ◽  
Zhiwen Zhuo ◽  
Zhongti Sun ◽  
Fang Wu ◽  
Chuan Wang ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
First Principles ◽  
Carrier Mobility ◽  
Catalytic Properties ◽  
Structure Stability ◽  
High Catalytic Activity ◽  
First Principles Calculations ◽  
Direct Bandgap

Phosphorene-like InP3 is reported with first-principles calculations, which is a direct-bandgap semiconductor with anisotropic carrier mobility and high catalytic activity toward the hydrogen evolution reaction.

Intercalated complexes of 1T′-MoS2 nanosheets with alkylated phenylenediamines as excellent catalysts for electrochemical hydrogen evolution

2019 ◽  
Vol 7 (5) ◽  
pp. 2334-2343 ◽  
Author(s):  
In Hye Kwak ◽  
Ik Seon Kwon ◽  
Hafiz Ghulam Abbas ◽  
Jaemin Seo ◽  
Gabin Jung ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
First Principles ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Mos2 Nanosheets

Two-dimensional 1T′ phase MoS2 that was intercalated with a series of alkylated p-phenylenediamines exhibits excellent catalytic activity toward hydrogen evolution reaction, supported by first-principles calculations.

Electronic structure modulation of NiS2 by transition metal doping for accelerating the hydrogen evolution reaction

2019 ◽  
Vol 7 (9) ◽  
pp. 4971-4976 ◽  
Author(s):  
Tongtong Wang ◽  
Xiaosong Guo ◽  
Jingyan Zhang ◽  
Wen Xiao ◽  
Pinxian Xi ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Catalytic Activity ◽  
Transition Metal ◽  
Hydrogen Evolution Reaction ◽  
Systematic Study ◽  
First Principles ◽  
Transition Metal Doping ◽  
First Principles Calculations ◽  
Structure Modulation ◽  
Metal Doped

We give a systematic study of the HER catalytic activity of transition metal doped NiS2 by first principles calculations and experiments.

Highly efficient catalytic activity for the hydrogen evolution reaction on pristine and monovacancy defected WP systems: a first-principles investigation

2018 ◽  
Vol 20 (20) ◽  
pp. 13757-13764 ◽  
Author(s):  
Yanfeng Ma ◽  
Guangtao Yu ◽  
Ting Wang ◽  
Chenghui Zhang ◽  
Xuri Huang ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
First Principles ◽  
Deep Understanding ◽  
Atomic Level ◽  
Highly Efficient ◽  
Tungsten Phosphide

A deep understanding of HER catalytic activity of tungsten phosphide at the atomic level and its effective improvement by introducing a monovacancy.

scholarly journals Fabrication of Robust Hydrogen Evolution Reaction Electrocatalyst Using Ag2Se by Vacuum Evaporation

Nanomaterials ◽  
2019 ◽  
Vol 9 (10) ◽  
pp. 1460
Author(s):  
Sajjad Hussain ◽  
Jinwoong Chae ◽  
Kamran Akbar ◽  
Dhanasekaran Vikraman ◽  
Linh Truong ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
First Principles ◽  
Hydrogen Adsorption ◽  
Hydrogen Generation ◽  
Low Cost ◽  
First Principles Calculations ◽  
Electrochemical Surface Area ◽  
Complex Catalyst ◽  
Catalyst Synthesis

Much research has been done on reliable and low-cost electrocatalysts for hydrogen generation by water splitting. In this study, we synthesized thin films of silver selenide (Ag2Se) using a simple thermal evaporation route and demonstrated their electrocatalytic hydrogen evolution reaction (HER) activity. The Ag2Se catalysts show improved electrochemical surface area and good HER electrocatalytic behavior (367 mV overpotential @ 10 mA·cm−2, exchange current density: ~1.02 × 10−3 mA·cm−2, and Tafel slope: 53 mV·dec−1) in an acidic medium). The reliability was checked in 0.5 M sulfuric acid over 20 h. Our first-principles calculations show the optimal energy of hydrogen adsorption, which is consistent with experimental results. The works could be further extended for finding a new catalyst by associating the selenide, sulfide or telluride-based materials without complex catalyst synthesis procedures.

First-principles investigation of the hydrogen evolution reaction of transition metal phosphides CrP, MnP, FeP, CoP, and NiP

2020 ◽  
Author(s):  
Ta-Wei Wang ◽  
Tan-Ling Wang ◽  
Wan-Jou Chou ◽  
Li-Fan Wu ◽  
Shi-Hsin Lin
Keyword(s):  
Transition Metal ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
First Principles ◽  
First Principles Calculations ◽  
Metal Phosphides ◽  
Transition Metal Phosphides

We comprehensively investigated the hydrogen evolution reaction (HER) activity of a series of transition metal phosphides MP (M = Cr, Mn, Fe, Co, and Ni) using first-principles calculations. The free...

Mo2C quantum dot embedded chitosan-derived nitrogen-doped carbon for efficient hydrogen evolution in a broad pH range

2016 ◽  
Vol 52 (86) ◽  
pp. 12753-12756 ◽  
Author(s):  
Zonghua Pu ◽  
Min Wang ◽  
Zongkui Kou ◽  
Ibrahim Saana Amiinu ◽  
Shichun Mu
Keyword(s):  
Catalytic Activity ◽  
Quantum Dot ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
High Catalytic Activity ◽  
Nitrogen Doped ◽  
Ph Range ◽  
Nitrogen Doped Carbon

Mo2C QDs/NGCLs exhibit high catalytic activity and durability for the hydrogen evolution reaction in a broad pH range.

Basal plane activation in monolayer MoTe2 for the hydrogen evolution reaction via phase boundaries

2020 ◽  
Vol 8 (37) ◽  
pp. 19522-19532
Author(s):  
Yiqing Chen ◽  
Pengfei Ou ◽  
Xiaohan Bie ◽  
Jun Song
Keyword(s):  
Transition Metal ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
First Principles ◽  
Basal Plane ◽  
Transition Metal Dichalcogenides ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Phase Boundaries ◽  
Metal Dichalcogenides

The 2H/1T′ phase boundary activated hydrogen evolution reaction on two-dimensional transition metal dichalcogenides is well studied by comprehensive first-principles calculations.

Copper dopants improved the hydrogen evolution activity of earth-abundant cobalt pyrite catalysts by activating the electrocatalytically inert sulfur sites

2017 ◽  
Vol 5 (33) ◽  
pp. 17601-17608 ◽  
Author(s):  
Jingyan Zhang ◽  
Baorui Xiao ◽  
Xiaoli Liu ◽  
Peitao Liu ◽  
Pinxian Xi ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
High Catalytic Activity ◽  
Earth Abundant

Cobalt pyrite (CoS2) is considered to be a promising catalyst for the hydrogen evolution reaction (HER) due to its intrinsic metallicity and high catalytic activity.

Preparation of Ni–CeO2 composite coatings with high catalytic activity for hydrogen evolution reaction

2015 ◽  
Vol 160 ◽  
pp. 34-37 ◽  
Author(s):  
Zhouhao Chen ◽  
Guangjie Shao ◽  
Zhipeng Ma ◽  
Jianjun Song ◽  
Guiling Wang ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Composite Coatings ◽  
High Catalytic Activity

scholarly journals Synergizing Cu Dimer and N atoms in Graphene Towards an Active Catalyst for Hydrogen Evolution Reaction

2021 ◽  
Author(s):  
Jing Yang ◽  
Zhi Gen Yu ◽  
Yong-Wei Zhang
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
First Principles ◽  
Active Catalyst ◽  
Single Atom ◽  
First Principles Calculations

Moving forward from single atom catalysts, here we propose Cu mers coordinated with N atoms in graphene as a potential catalyst for hydrogen evolution reaction (HER) using first-principles calculations. Our...

Sign in / Sign up

Export Citation Format

Share Document