Dynamic evolution of isolated Ru–FeP atomic interface sites for promoting the electrochemical hydrogen evolution reaction

2020 ◽  
Vol 8 (43) ◽  
pp. 22607-22612
Author(s):  
Huishan Shang ◽  
Zhenghang Zhao ◽  
Jiajing Pei ◽  
Zhuoli Jiang ◽  
Danni Zhou ◽  
...  
Keyword(s):  
Bond Length ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Active Sites ◽  
Catalytic Performance ◽  
Dynamic Evolution ◽  
Atomic Interface

An isolated Ru-modified FeP catalyst was designed with boosted catalytic performance for the hydrogen evolution reaction. Further, we revealed that the bond-length-extended isolated Ru(+3)–P4–Fe serve as active sites through operando XAS analysis.

scholarly journals Defect and Doping Engineered Penta-graphene for Catalysis of Hydrogen Evolution Reaction

2021 ◽  
Vol 16 (1) ◽  
Author(s):  
Jinbo Hao ◽  
Feng Wei ◽  
Xinhui Zhang ◽  
Long Li ◽  
Chunling Zhang ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Active Sites ◽  
Noble Metals ◽  
Low Cost ◽  
Water Electrolysis ◽  
Catalytic Performance ◽  
First Principles Calculation ◽  
Electron Charge Density ◽  
Calculation Results

AbstractWater electrolysis is a sustainable and clean method to produce hydrogen fuel via hydrogen evolution reaction (HER). Using stable, effective and low-cost electrocatalysts for HER to substitute expensive noble metals is highly desired. In this paper, by using first-principles calculation, we designed a defect and N-, S-, P-doped penta-graphene (PG) as a two-dimensional (2D) electrocatalyst for HER, and its stability, electronic properties and catalytic performance were investigated. The Gibbs free energy (ΔGH), which is the best descriptor for the HER, is calculated and optimized, the calculation results show that the ΔGH can be 0 eV with C2 vacancies and P doping at C1 active sites, which should be the optimal performance for a HER catalyst. Moreover, we reveal that the larger charge transfer from PG to H, the closer ΔGH is to zero according to the calculation of the electron charge density differences and Bader charges analysis. Ulteriorly, we demonstrated that the HER performance prefers the Volmer–Heyrovsky mechanism in this study.

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.

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.

scholarly journals Defect-Rich Heterogeneous MoS2/rGO/NiS Nanocomposite for Efficient pH-Universal Hydrogen Evolution

Nanomaterials ◽  
2021 ◽  
Vol 11 (3) ◽  
pp. 662 ◽  
Author(s):  
Guangsheng Liu ◽  
Kunyapat Thummavichai ◽  
Xuefeng Lv ◽  
Wenting Chen ◽  
Tingjun Lin ◽  
...  
Keyword(s):  
Graphene Oxide ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Active Sites ◽  
Reduced Graphene ◽  
Heterogeneous Interfaces ◽  
Wide Ph Range ◽  
Ph Range ◽  
A Current ◽  
Poor Stability

Molybdenum disulfide (MoS2) has been universally demonstrated to be an effective electrocatalytic catalyst for hydrogen evolution reaction (HER). However, the low conductivity, few active sites and poor stability of MoS2-based electrocatalysts hinder its hydrogen evolution performance in a wide pH range. The introduction of other metal phases and carbon materials can create rich interfaces and defects to enhance the activity and stability of the catalyst. Herein, a new defect-rich heterogeneous ternary nanocomposite consisted of MoS2, NiS and reduced graphene oxide (rGO) are synthesized using ultrathin αNi(OH)2 nanowires as the nickel source. The MoS2/rGO/NiS-5 of optimal formulation in 0.5 M H2SO4, 1.0 M KOH and 1.0 M PBS only requires 152, 169 and 209 mV of overpotential to achieve a current density of 10 mA cm−2 (denoted as η10), respectively. The excellent HER performance of the MoS2/rGO/NiS-5 electrocatalyst can be ascribed to the synergistic effect of abundant heterogeneous interfaces in MoS2/rGO/NiS, expanded interlayer spacings, and the addition of high conductivity graphene oxide. The method reported here can provide a new idea for catalyst with Ni-Mo heterojunction, pH-universal and inexpensive hydrogen evolution reaction electrocatalyst.

scholarly journals Engineering single-atomic ruthenium catalytic sites on defective nickel-iron layered double hydroxide for overall water splitting

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Panlong Zhai ◽  
Mingyue Xia ◽  
Yunzhen Wu ◽  
Guanghui Zhang ◽  
Junfeng Gao ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Water Splitting ◽  
Layered Double Hydroxide ◽  
Hydrogen Evolution Reaction ◽  
Active Sites ◽  
Density Functional ◽  
Rational Design ◽  
Single Atom ◽  
Nickel Iron ◽  
Double Hydroxide

AbstractRational design of single atom catalyst is critical for efficient sustainable energy conversion. However, the atomic-level control of active sites is essential for electrocatalytic materials in alkaline electrolyte. Moreover, well-defined surface structures lead to in-depth understanding of catalytic mechanisms. Herein, we report a single-atomic-site ruthenium stabilized on defective nickel-iron layered double hydroxide nanosheets (Ru1/D-NiFe LDH). Under precise regulation of local coordination environments of catalytically active sites and the existence of the defects, Ru1/D-NiFe LDH delivers an ultralow overpotential of 18 mV at 10 mA cm−2 for hydrogen evolution reaction, surpassing the commercial Pt/C catalyst. Density functional theory calculations reveal that Ru1/D-NiFe LDH optimizes the adsorption energies of intermediates for hydrogen evolution reaction and promotes the O–O coupling at a Ru–O active site for oxygen evolution reaction. The Ru1/D-NiFe LDH as an ideal model reveals superior water splitting performance with potential for the development of promising water-alkali electrocatalysts.

scholarly journals Catalytic synergy effect of MoS2/reduced graphene oxide hybrids for a highly efficient hydrogen evolution reaction

RSC Advances ◽  
2017 ◽  
Vol 7 (9) ◽  
pp. 5480-5487 ◽  
Author(s):  
Jung Eun Lee ◽  
Jaemin Jung ◽  
Taeg Yeoung Ko ◽  
Sujin Kim ◽  
Seong-Il Kim ◽  
...  
Keyword(s):  
Graphene Oxide ◽  
Reduced Graphene Oxide ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Electronic Transition ◽  
Catalytic Performance ◽  
Synergy Effect ◽  
Tafel Slope ◽  
Reduced Graphene ◽  
Catalytically Active

GO content tuning gradually enhanced the HER catalytic performance of the MoS2/rGO hybrids, decreasing the Tafel slope from 82 to 48 mV per decade owing to an increase of catalytically active areas and an electronic transition of MoS2.

scholarly journals Revealing the Activity of Co3Mo3N and Co3Mo3N0.5 as Electrocatalysts for the Hydrogen Evolution Reaction

2022 ◽  
Author(s):  
Youyi Sun ◽  
Lewen Wang ◽  
Olga Guselnikova ◽  
Oleg Semyonov ◽  
James P Fraser ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Catalytic Performance ◽  
Multiple Factors ◽  
Multicomponent Materials

The hydrogen evolution reaction (HER) from water is governed by electrocatalysts used. Multiple factors such as crystal structure, composition and morphology dictate the final catalytic performance. However, as multicomponent materials...

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