scholarly journals Identifying Catalytic Active Sites of Trimolybdenum Phosphide (Mo 3 P) for Electrochemical Hydrogen Evolution

2019 ◽  
Vol 9 (39) ◽  
pp. 1902639
Author(s):  
Alireza Kondori ◽  
Mohammadreza Esmaeilirad ◽  
Artem Baskin ◽  
Boao Song ◽  
Jialiang Wei ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Active Sites ◽  
Catalytic Active Sites

Fluorination Activates the Basal Plane HER Activity of ReS2: A Combined Experimental and Theoretical Study

2021 ◽  
Author(s):  
Yonggang Liu ◽  
Haijing Li ◽  
Junfu Li ◽  
Xiaoshuang Ma ◽  
Zhiming Cui ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Basal Plane ◽  
Active Sites ◽  
Theoretical Study ◽  
Two Dimensional ◽  
Catalytic Active Sites

Two-dimensional (2D) rhenium disulfide (ReS2) has been attracting immense interests as highly promising hydrogen evolution reaction (HER) electrocatalyst recently. However, the HER catalytic active sites of ReS2 are still limited...

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.

scholarly journals In Situ Construction of Ag/TiO2/g-C3N4 Heterojunction Nanocomposite Based on Hierarchical Co-Assembly with Sustainable Hydrogen Evolution

Nanomaterials ◽  
2019 ◽  
Vol 10 (1) ◽  
pp. 1 ◽  
Author(s):  
Rui Geng ◽  
Juanjuan Yin ◽  
Jingxin Zhou ◽  
Tifeng Jiao ◽  
Yao Feng ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Self Assembly ◽  
Active Sites ◽  
Carrier Transport ◽  
Synergistic Effects ◽  
Electron Hole ◽  
Simple Strategy ◽  
Promising Strategy ◽  
Catalytic Active Sites

The construction of heterojunctions provides a promising strategy to improve photocatalytic hydrogen evolution. However, how to fabricate a nanoscale TiO2/g-C3N4 heterostructure and hinder the aggregation of bulk g-C3N4 using simple methods remains a challenge. In this work, we use a simple in situ construction method to design a heterojunction model based on molecular self-assembly, which uses a small molecule matrix for self-integration, including coordination donors (AgNO3), inorganic titanium source (Ti(SO4)2) and g-C3N4 precursor (melamine). The self-assembled porous g-C3N4 nanotube can hamper carrier aggregation and it provides numerous catalytic active sites, mainly via the coordination of Ag+ ions. Meanwhile, the TiO2 NPs are easily mineralized on the nanotube template in dispersive distribution to form a heterostructure via an N–Ti bond of protonation, which contributes to shortening the interfacial carrier transport, resulting in enhanced electron-hole pairs separation. Originating from all of the above synergistic effects, the obtained Ag/TiO2/g-C3N4 heterogenous photocatalysts exhibit an enhanced H2 evolution rate with excellent sustainability 20.6-fold-over pure g-C3N4. Our report provides a feasible and simple strategy to fabricate a nanoscale heterojunction incorporating g-C3N4, and has great potential in environmental protection and water splitting.

scholarly journals All The Catalytic Active Sites of MoS2 for Hydrogen Evolution

2016 ◽  
Vol 138 (51) ◽  
pp. 16632-16638 ◽  
Author(s):  
Guoqing Li ◽  
Du Zhang ◽  
Qiao Qiao ◽  
Yifei Yu ◽  
David Peterson ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Active Sites ◽  
Catalytic Active Sites

scholarly journals Identifying Catalytic Active Sites of Trimolybdenum Phosphide (Mo 3 P) for Electrochemical Hydrogen Evolution

2019 ◽  
Vol 9 (22) ◽  
pp. 1900516 ◽  
Author(s):  
Alireza Kondori ◽  
Mohammadreza Esmaeilirad ◽  
Artem Baskin ◽  
Boao Song ◽  
Jialiang Wei ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Active Sites ◽  
Catalytic Active Sites

Facile synthesis of CoX (X = S, P) as an efficient electrocatalyst for hydrogen evolution reaction

2015 ◽  
Vol 3 (24) ◽  
pp. 13066-13071 ◽  
Author(s):  
Jiayuan Li ◽  
Xuemei Zhou ◽  
Zhaoming Xia ◽  
Zhiyun Zhang ◽  
Jing Li ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Bond Length ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Active Sites ◽  
Chemical Conversion ◽  
Metal Center ◽  
Controllable Synthesis ◽  
Facile Synthesis ◽  
Catalytic Active Sites

HER catalytic activity of CoX (X = S, P) nanocatalysts prepared through a facile and controllable synthesis by the chemical conversion of thin Co(OH)2 nanoplates was studied. The better HER performance of CoP could be derived from its intrinsically positive charged nature of the metal center Co, the long bond length of Co–P and the abundant catalytic active sites toward HER.

Field Effect Modulation of Electrocatalytic Hydrogen Evolution at Back-Gated Two-Dimensional MoS2 Electrodes

2019 ◽  
Author(s):  
Yan Wang ◽  
Sagar Udyavara ◽  
Matthew Neurock ◽  
C. Daniel Frisbie
Keyword(s):  
Electric Field ◽  
Hydrogen Evolution ◽  
Active Sites ◽  
Density Functional ◽  
Electrode Materials ◽  
Density Functional Theory Calculations ◽  
Electronic Charge ◽  
Back Side ◽  
Gate Electrode ◽  
Conventional Manner

<div> <div> <div> <p> </p><div> <div> <div> <p>Electrocatalytic activity for hydrogen evolution at monolayer MoS2 electrodes can be enhanced by the application of an electric field normal to the electrode plane. The electric field is produced by a gate electrode lying underneath the MoS2 and separated from it by a dielectric. Application of a voltage to the back-side gate electrode while sweeping the MoS2 electrochemical potential in a conventional manner in 0.5 M H2SO4 results in up to a 140-mV reduction in overpotential for hydrogen evolution at current densities of 50 mA/cm2. Tafel analysis indicates that the exchange current density is correspondingly improved by a factor of 4 to 0.1 mA/cm2 as gate voltage is increased. Density functional theory calculations support a mechanism in which the higher hydrogen evolution activity is caused by gate-induced electronic charge on Mo metal centers adjacent the S vacancies (the active sites), leading to enhanced Mo-H bond strengths. Overall, our findings indicate that the back-gated working electrode architecture is a convenient and versatile platform for investigating the connection between tunable electronic charge at active sites and overpotential for electrocatalytic processes on ultrathin electrode materials.</p></div></div></div><br><p></p></div></div></div>

Boron-modulated surface of hollow nickel framework for improved hydrogen evolution

2021 ◽  
Author(s):  
Weishi Gu ◽  
Zhongqin Pan ◽  
Han Tao ◽  
Yanling Guo ◽  
Jun Pu ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Active Sites ◽  
Nano Structure ◽  
Binder Free ◽  
Structure Engineering

Taking advantage of micro/nano structure engineering and surface boron modulation, we developed a binder-free and support-free electrode to enrich and optimize active sites of Ni.

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