scholarly journals O-coordinated W-Mo dual-atom catalyst for pH-universal electrocatalytic hydrogen evolution

2020 ◽  
Vol 6 (23) ◽  
pp. eaba6586 ◽  
Author(s):  
Yang Yang ◽  
Yumin Qian ◽  
Haijing Li ◽  
Zhenhua Zhang ◽  
Yuewen Mu ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Self Assembly ◽  
Rational Design ◽  
Single Atom ◽  
Electron Delocalization ◽  
Intrinsic Activity ◽  
Metal Atoms ◽  
Doped Graphene ◽  
Dual Atom ◽  
In Virtue Of

Single-atom catalysts (SACs) maximize the utility efficiency of metal atoms and offer great potential for hydrogen evolution reaction (HER). Bimetal atom catalysts are an appealing strategy in virtue of the synergistic interaction of neighboring metal atoms, which can further improve the intrinsic HER activity beyond SACs. However, the rational design of these systems remains conceptually challenging and requires in-depth research both experimentally and theoretically. Here, we develop a dual-atom catalyst (DAC) consisting of O-coordinated W-Mo heterodimer embedded in N-doped graphene (W1Mo1-NG), which is synthesized by controllable self-assembly and nitridation processes. In W1Mo1-NG, the O-bridged W-Mo atoms are anchored in NG vacancies through oxygen atoms with W─O─Mo─O─C configuration, resulting in stable and finely distribution. The W1Mo1-NG DAC enables Pt-like activity and ultrahigh stability for HER in pH-universal electrolyte. The electron delocalization of W─O─Mo─O─C configuration provides optimal adsorption strength of H and boosts the HER kinetics, thereby notably promoting the intrinsic activity.

scholarly journals Engineering Ruthenium-Based Electrocatalysts for Effective Hydrogen Evolution Reaction

2021 ◽  
Vol 13 (1) ◽  
Author(s):  
Yingjie Yang ◽  
Yanhui Yu ◽  
Jing Li ◽  
Qingrong Chen ◽  
Yanlian Du ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Rational Design ◽  
Energy System ◽  
Structure Design ◽  
Single Atom ◽  
Research Progress ◽  
Pure Hydrogen ◽  
Hydrogen Energy ◽  
Practical Applications

AbstractThe investigation of highly effective, durable, and cost-effective electrocatalysts for the hydrogen evolution reaction (HER) is a prerequisite for the upcoming hydrogen energy society. To establish a new hydrogen energy system and gradually replace the traditional fossil-based energy, electrochemical water-splitting is considered the most promising, environmentally friendly, and efficient way to produce pure hydrogen. Compared with the commonly used platinum (Pt)-based catalysts, ruthenium (Ru) is expected to be a good alternative because of its similar hydrogen bonding energy, lower water decomposition barrier, and considerably lower price. Analyzing and revealing the HER mechanisms, as well as identifying a rational design of Ru-based HER catalysts with desirable activity and stability is indispensable. In this review, the research progress on HER electrocatalysts and the relevant describing parameters for HER performance are briefly introduced. Moreover, four major strategies to improve the performance of Ru-based electrocatalysts, including electronic effect modulation, support engineering, structure design, and maximum utilization (single atom) are discussed. Finally, the challenges, solutions and prospects are highlighted to prompt the practical applications of Ru-based electrocatalysts for HER.

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 Rational Design of Graphene-Supported Single Atom Catalysts for Hydrogen Evolution Reaction

2019 ◽  
Vol 9 (10) ◽  
pp. 1803689 ◽  
Author(s):  
Md Delowar Hossain ◽  
Zhenjing Liu ◽  
Minghao Zhuang ◽  
Xingxu Yan ◽  
Gui-Liang Xu ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Rational Design ◽  
Single Atom

Seamlessly conductive Co(OH)2 tailored atomically dispersed Pt electrocatalyst with a hierarchical nanostructure for an efficient hydrogen evolution reaction

2020 ◽  
Vol 13 (9) ◽  
pp. 3082-3092 ◽  
Author(s):  
Kai Ling Zhou ◽  
Changhao Wang ◽  
Zelin Wang ◽  
Chang Bao Han ◽  
Qianqian Zhang ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Single Atom ◽  
Intrinsic Activity ◽  
Hybrid Catalyst ◽  
Hierarchical Nanostructure ◽  
Nanowire Network ◽  
Ag Nanowire

A hybrid catalyst based on single-atom Pt anchored Co(OH)2 nanosheets growing on a Ag nanowire network with high intrinsic activity is developed for an efficient hydrogen evolution reaction.

Rational Design of TiC-Supported Single-Atom Electrocatalysts for Hydrogen Evolution and Selective Oxygen Reduction Reactions

2018 ◽  
Vol 4 (1) ◽  
pp. 126-132 ◽  
Author(s):  
Suman Kalyan Sahoo ◽  
Youngjin Ye ◽  
Seonggyu Lee ◽  
Jinkyu Park ◽  
Hyunjoo Lee ◽  
...  
Keyword(s):  
Oxygen Reduction ◽  
Hydrogen Evolution ◽  
Rational Design ◽  
Single Atom ◽  
Reduction Reactions ◽  
Oxygen Reduction Reactions

scholarly journals Atomic layer deposited Pt-Ru dual-metal dimers and identifying their active sites for hydrogen evolution reaction

2019 ◽  
Vol 10 (1) ◽  
Author(s):  
Lei Zhang ◽  
Rutong Si ◽  
Hanshuo Liu ◽  
Ning Chen ◽  
Qi Wang ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Active Sites ◽  
Rational Design ◽  
Atomic Layer ◽  
Single Atom ◽  
Structure Model ◽  
Layer Deposition ◽  
Dual Metal ◽  
X Ray Absorption ◽  
Excellent Stability

Abstract Single atom catalysts exhibit particularly high catalytic activities in contrast to regular nanomaterial-based catalysts. Until recently, research has been mostly focused on single atom catalysts, and it remains a great challenge to synthesize bimetallic dimer structures. Herein, we successfully prepare high-quality one-to-one A-B bimetallic dimer structures (Pt-Ru dimers) through an atomic layer deposition (ALD) process. The Pt-Ru dimers show much higher hydrogen evolution activity (more than 50 times) and excellent stability compared to commercial Pt/C catalysts. X-ray absorption spectroscopy indicates that the Pt-Ru dimers structure model contains one Pt-Ru bonding configuration. First principle calculations reveal that the Pt-Ru dimer generates a synergy effect by modulating the electronic structure, which results in the enhanced hydrogen evolution activity. This work paves the way for the rational design of bimetallic dimers with good activity and stability, which have a great potential to be applied in various catalytic reactions.

Rational design of an efficient descriptor for single-atom catalysts in the hydrogen evolution reaction

2020 ◽  
Vol 8 (18) ◽  
pp. 9202-9208 ◽  
Author(s):  
Hai-Cai Huang ◽  
Yang Zhao ◽  
Jing Wang ◽  
Jun Li ◽  
Jing Chen ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Rational Design ◽  
Single Atom ◽  
Highly Efficient

A highly efficient and reliable descriptor is proposed offering a strategy to rationally design SACs for the HER conveniently and quickly.

Surface oxygen vacancies promoted Pt redispersion to single-atom for enhanced photocatalytic hydrogen evolution

2021 ◽  
Author(s):  
Jinmeng Cai ◽  
Ang Cao ◽  
Zhenbin Wang ◽  
Siyu Lu ◽  
Zheng Jiang ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Oxygen Vacancies ◽  
Catalytic Properties ◽  
Spillover Effect ◽  
Hydrogen Spillover ◽  
Single Atom ◽  
Surface Oxygen ◽  
Photocatalytic Hydrogen Evolution ◽  
Metal Atoms

Isolating metal atoms on supports for catalysis has attracted great attention for researchers due to the unique catalytic properties. Here we show by utilizing the hydrogen spillover effect at high...

scholarly journals Mechanistic insight into the active centers of single/dual-atom Ni/Fe-based oxygen electrocatalysts

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Wenchao Wan ◽  
Yonggui Zhao ◽  
Shiqian Wei ◽  
Carlos A. Triana ◽  
Jingguo Li ◽  
...  
Keyword(s):  
Water Oxidation ◽  
Rational Design ◽  
Reduction Reaction ◽  
Utilization Efficiency ◽  
Single Atom ◽  
Active Centers ◽  
Half Wave ◽  
Fe Sites ◽  
Dual Atom ◽  
Dual Site

AbstractSingle-atom catalysts with maximum metal utilization efficiency show great potential for sustainable catalytic applications and fundamental mechanistic studies. We here provide a convenient molecular tailoring strategy based on graphitic carbon nitride as support for the rational design of single-site and dual-site single-atom catalysts. Catalysts with single Fe sites exhibit impressive oxygen reduction reaction activity with a half-wave potential of 0.89 V vs. RHE. We find that the single Ni sites are favorable to promote the key structural reconstruction into bridging Ni-O-Fe bonds in dual-site NiFe SAC. Meanwhile, the newly formed Ni-O-Fe bonds create spin channels for electron transfer, resulting in a significant improvement of the oxygen evolution reaction activity with an overpotential of 270 mV at 10 mA cm−2. We further reveal that the water oxidation reaction follows a dual-site pathway through the deprotonation of *OH at both Ni and Fe sites, leading to the formation of bridging O2 atop the Ni-O-Fe sites.

scholarly journals Dipole Field Interactions Determine the CO2 Reduction Activity of 2D FeNC Single Atom Catalysts

2020 ◽  
Author(s):  
Sudarshan Vijay ◽  
Joseph Gauthier ◽  
Hendrik Heenen ◽  
Vanessa Jane Bukas ◽  
Henrik Høgh Kristoffersen ◽  
...  
Keyword(s):  
Rational Design ◽  
Design Principle ◽  
Ph Dependence ◽  
Co2 Reduction ◽  
Catalyst Design ◽  
Single Atom ◽  
Reduction Activity ◽  
Electrochemical Co2 Reduction ◽  
Doped Graphene ◽  
Fuels And Chemicals

<p>Electrochemical CO2 Reduction (CO2R) can potentially allow for the sustainable production of valuable fuels and chemicals. Recently, single atom catalysts on a 2D support have been shown to be a promising catalyst candidate. Using state-of-the-art methods, we develop a model for Fe doped graphene which rationalises several critical experimental observations: the contentious origin of the pH dependence of reactivity and the dependence of current-potential relationships on active site. We show that single atom catalysts have the unique ability to stabilise different dipoles associated with critical reaction intermediates, which translates to significant shifts in activity. This provides a new rational design principle and paves the way for rigorous computation-guided catalyst design of new single atom catalysts for CO2R.</p>

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