Polyvinylpyrrolidone Gel Based Pt/Ni(OH)2 Heterostructures with Redistributing Charges for Enhanced Alkaline Hydrogen Evolution Reaction

2021 ◽  
Author(s):  
Jin Li ◽  
Bo Li ◽  
He Huang ◽  
Shuo Yan ◽  
Changzhou Yuan ◽  
...  
Keyword(s):  
Free Energy ◽  
Hydrogen Evolution ◽  
Gibbs Free Energy ◽  
Hydrogen Evolution Reaction ◽  
Dissociation Energy ◽  
Active Sites ◽  
Hydrogen Adsorption ◽  
Water Dissociation ◽  
Promising Strategy

Optimizing water dissociation energy and hydrogen adsorption Gibbs free energy of active sites through redistributing charges in heterostructures are a promising strategy for improving alkaline hydrogen evolution reaction (HER). Herein,...

scholarly journals RuxSe@MoS2 hybrid as a highly efficient electrocatalyst toward hydrogen evolution reaction

RSC Advances ◽  
2019 ◽  
Vol 9 (24) ◽  
pp. 13486-13493 ◽  
Author(s):  
Qi Chen ◽  
Kefeng Wang ◽  
Jingjing Qin ◽  
Songzhu Wang ◽  
Wei Wei ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Active Sites ◽  
Hydrogen Adsorption ◽  
Water Dissociation ◽  
Highly Efficient

The bifunctionality mechanism of RuxSe@MoS2 greatly enhances the alkaline HER performance, in which Ru promotes water dissociation and the nearby Se atoms, unsaturated Mo and/or S atoms act as active sites for the intermediate hydrogen adsorption.

scholarly journals Tailoring Water Dissociation Energy by Platinum Single-Atom Catalyst Coupled with Transition Metal/metal Oxide Heterostructure for Accelerating Alkaline Hydrogen Evolution Reaction

2021 ◽  
Author(s):  
Changbao Han ◽  
Kailing Zhou ◽  
Qianqian Zhang ◽  
Jingbing Liu ◽  
Hui Yan ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Dissociation Energy ◽  
Active Sites ◽  
Alkaline Media ◽  
Water Dissociation ◽  
High Mass ◽  
Single Atom ◽  
Adsorption Affinity ◽  
Metal Metal

Abstract High-activity catalysts in alkaline media are compelling for durable hydrogen evolution reaction (HER). Single-atom catalysts (SACs) provide an effective approach to reduce the amount of precious metals meanwhile maintain their catalytic activity. However, the sluggish activity of SACs for water dissociation in alkaline media has extremely hampered advances in highly efficient hydrogen production. Herein, we developed a platinum SAC immobilized NiO/Ni heterostructure (PtSA-NiO/Ni) as an alkaline HER catalyst. It was found that Pt SACs coupled with NiO/Ni heterostructure enable the tunable binding abilities of hydroxyl ions (OH*) and hydrogen (H*), which efficiently tailors the water dissociation energy for accelerating alkaline HER. In particular, the dual active sites consisting of metallic Ni sites and O vacancies modified NiO sites near the interfaces of NiO/Ni in PtSA-NiO/Ni have preferred adsorption affinity for H* and OH* groups, respectively, which efficiently lowers the energy barrier of water dissociation of Volmer step. Moreover, anchoring Pt single atoms at the interfaces of NiO/Ni heterostructure induces more free electrons on Pt sites due to the elevated occupation of the Pt 5d orbital at the Fermi level and reaches a near-zero H binding energy (ΔGH*, 0.07 eV), which further promotes the H* conversion and H2 evolution. Further enhancement of alkaline HER performance was achieved by constructing PtSA-NiO/Ni nanosheets on the Ag nanowires to form a hierarchical three-dimensional (3D) morphology that provides abundant active sites and accessible channels for charge transfer and mass transport. Consequently, the fabricated PtSA-NiO/Ni catalyst displays extremely high alkaline HER performances with a quite high mass activity of 20.6 A mg-1 for Pt at the overpotential of 100 mV, which is 41 times greater than that of the commercial Pt/C catalyst, significantly outperforming the reported catalysts.

scholarly journals Electrochemically Induced In-Situ Generated Co(OH)2 Nanoplates to Promote the Volmer Process Toward Efficient Alkaline Hydrogen Evolution Reaction

2020 ◽  
Author(s):  
Hong Liu ◽  
Jian-Jun Wang ◽  
Li-Wen Jiang ◽  
Yuan Huang ◽  
Bing Bing Chen ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Active Sites ◽  
Water Electrolysis ◽  
Water Dissociation ◽  
Alkaline Water Electrolysis ◽  
Additional Water ◽  
Dissociation Step ◽  
Insight Into

<p>Hydrogen production via alkaline water electrolysis is of significant interest. However, the additional water dissociation step makes the Volmer step a relatively more sluggish kinetics and consequently leads to a slower reaction rate than that in acidic solution. Herein, we demonstrate an effective strategy that Co(OH)<sub>2</sub> can promote the Volmer process by accelerating water dissociation and enhance the electrocatalytic performance of CoP toward alkaline hydrogen evolution reaction. The Co(OH)<sub>2</sub> nanoplates are electrochemically induced in-situ generated to form a nanotree-like structure with porous CoP nanowires, endowing the hybrid electrocatalyst with superior charge transportation, more exposed active sites, and enhanced reaction kinetics. This strategy may be extended to <a></a><a>other phosphides and chalcogenides </a>and provide insight into the design and fabrication of efficient alkaline HER catalysts.</p>

scholarly journals Electrochemically Induced In-Situ Generated Co(OH)2 Nanoplates to Promote the Volmer Process Toward Efficient Alkaline Hydrogen Evolution Reaction

2020 ◽  
Author(s):  
Hong Liu ◽  
Jian-Jun Wang ◽  
Li-Wen Jiang ◽  
Yuan Huang ◽  
Bing Bing Chen ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Active Sites ◽  
Water Electrolysis ◽  
Water Dissociation ◽  
Alkaline Water Electrolysis ◽  
Additional Water ◽  
Dissociation Step ◽  
Insight Into

<p>Hydrogen production via alkaline water electrolysis is of significant interest. However, the additional water dissociation step makes the Volmer step a relatively more sluggish kinetics and consequently leads to a slower reaction rate than that in acidic solution. Herein, we demonstrate an effective strategy that Co(OH)<sub>2</sub> can promote the Volmer process by accelerating water dissociation and enhance the electrocatalytic performance of CoP toward alkaline hydrogen evolution reaction. The Co(OH)<sub>2</sub> nanoplates are electrochemically induced in-situ generated to form a nanotree-like structure with porous CoP nanowires, endowing the hybrid electrocatalyst with superior charge transportation, more exposed active sites, and enhanced reaction kinetics. This strategy may be extended to <a></a><a>other phosphides and chalcogenides </a>and provide insight into the design and fabrication of efficient alkaline HER catalysts.</p>

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 Monolayer triphosphates MP3 (M = Sn, Ge) with excellent basal catalytic activity for hydrogen evolution reaction

Nanoscale ◽  
2019 ◽  
Vol 11 (25) ◽  
pp. 12210-12219 ◽  
Author(s):  
Hong-Hui Wu ◽  
He Huang ◽  
Jie Zhong ◽  
Song Yu ◽  
Qiaobao Zhang ◽  
...  
Keyword(s):  
Free Energy ◽  
Catalytic Activity ◽  
Hydrogen Evolution ◽  
Gibbs Free Energy ◽  
Hydrogen Evolution Reaction ◽  
2D Materials ◽  
Future Application

The desirable properties of 2D GeP3 and SnP3 for catalyzing HER with nearly zero Gibbs free energy render both 2D materials as potential candidates for future application in electrocatalysis.

Effects of a Ni cocatalyst on the photocatalytic hydrogen evolution reaction of anatase TiO2 by first-principles calculations

2020 ◽  
Vol 44 (14) ◽  
pp. 5428-5437 ◽  
Author(s):  
Ping Zhuang ◽  
Haiying Yue ◽  
Hao Dong ◽  
Xin Zhou
Keyword(s):  
Free Energy ◽  
Hydrogen Evolution ◽  
Gibbs Free Energy ◽  
Hydrogen Evolution Reaction ◽  
First Principles ◽  
Anatase Tio2 ◽  
First Principles Calculations ◽  
Photocatalytic Hydrogen Evolution

Loading Nin clusters on anatase TiO2 surfaces remarkably reduces the Gibbs free energy of the photocatalytic hydrogen evolution reaction.

scholarly journals Aligned Heterointerface‐Induced 1T‐MoS 2 Monolayer with Near‐Ideal Gibbs Free Energy for Stable Hydrogen Evolution Reaction

Small ◽  
2019 ◽  
Vol 15 (21) ◽  
pp. 1901883 ◽  
Author(s):  
Kan Zhang ◽  
Bingjun Jin ◽  
Yujie Gao ◽  
Shengli Zhang ◽  
Hyunjung Shin ◽  
...  
Keyword(s):  
Free Energy ◽  
Hydrogen Evolution ◽  
Gibbs Free Energy ◽  
Hydrogen Evolution Reaction

scholarly journals Theoretical Insights into the Hydrogen Evolution Reaction on the Ni3N Electrocatalyst

Catalysts ◽  
2021 ◽  
Vol 11 (6) ◽  
pp. 716
Author(s):  
Russell W. Cross ◽  
Sachin R. Rondiya ◽  
Nelson Y. Dzade
Keyword(s):  
Hydrogen Evolution ◽  
Water Splitting ◽  
Hydrogen Evolution Reaction ◽  
Density Functional ◽  
Hydrogen Adsorption ◽  
Water Dissociation ◽  
Metallic Nickel ◽  
Surface Stability ◽  
Adsorption Sites ◽  
Surface Energies

Ni-based catalysts are attractive alternatives to noble metal electrocatalysts for the hydrogen evolution reaction (HER). Herein, we present a dispersion-corrected density functional theory (DFT-D3) insight into HER activity on the (111), (110), (001), and (100) surfaces of metallic nickel nitride (Ni3N). A combination of water and hydrogen adsorption was used to model the electrode interactions within the water splitting cell. Surface energies were used to characterise the stabilities of the Ni3N surfaces, along with adsorption energies to determine preferable sites for adsorbate interactions. The surface stability order was found to be (111) < (100) < (001) < (110), with calculated surface energies of 2.10, 2.27, 2.37, and 2.38 Jm−2, respectively. Water adsorption was found to be exothermic at all surfaces, and most favourable on the (111) surface, with Eads = −0.79 eV, followed closely by the (100), (110), and (001) surfaces at −0.66, −0.65, and −0.56 eV, respectively. The water splitting reaction was investigated at each surface to determine the rate determining Volmer step and the activation energies (Ea) for alkaline HER, which has thus far not been studied in detail for Ni3N. The Ea values for water splitting on the Ni3N surfaces were predicted in the order (001) < (111) < (110) < (100), which were 0.17, 0.73, 1.11, and 1.60 eV, respectively, overall showing the (001) surface to be most active for the Volmer step of water dissociation. Active hydrogen adsorption sites are also presented for acidic HER, evaluated through the ΔGH descriptor. The (110) surface was shown to have an extremely active Ni–N bridging site with ΔGH = −0.05 eV.

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