scholarly journals Single-atom catalysts for CO2 electroreduction with significant activity and selectivity improvements

2017 ◽  
Vol 8 (2) ◽  
pp. 1090-1096 ◽  
Author(s):  
Seoin Back ◽  
Juhyung Lim ◽  
Na-Young Kim ◽  
Yong-Hyun Kim ◽  
Yousung Jung
Keyword(s):  
Electronic Structure ◽  
High Activity ◽  
Single Atom ◽  
Atomic Ensemble ◽  
Significant Activity ◽  
Co2 Electroreduction

We propose the great potential of single atom catalysts (SACs) for CO2 electroreduction with high activity and selectivity predictions over a competitive H2 evolution reaction. We find the lack of an atomic ensemble for adsorbate binding and unique electronic structure of the single atom catalysts play an important role.

A generalized amino-modification strategy to boost CO2 electroreduction current density of single-atom catalysts to industrial application level

2020 ◽  
Author(s):  
Zhipeng Chen ◽  
Xinxin Zhang ◽  
Wei Liu ◽  
Mingyang Jiao ◽  
Kaiwen Mou ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Current Density ◽  
Reduction Reaction ◽  
Single Atom ◽  
Potential Range ◽  
Carbon Supports ◽  
Co2 Electroreduction ◽  
Operating Potential ◽  
Ingenious Method ◽  
Industrial Level

Abstract Although Faraday efficiency (FE) for CO production of single-atom catalysts immobilized on nitrogen-doped carbon supports (M-N/C) for CO2 electrocatalytic reduction reaction (CO2RR) is generally over 90%, M-N/C catalysts demonstrate a poor reaction current density, much worse than the current density of industrial level. Herein, we first report a generalized strategy of amino-functionalized carbon supports to regulate electronic structure of M-N/C catalysts (M=Ni, Fe, Zn) to significantly increase current density of CO production. The aminated Ni single-atom catalyst achieves a remarkable CO partial current density of 447.6 mA cm-2 (a total current density over 500 mA cm-2) with a nearly 90% CO FE at a moderate overpotential of 0.89 V, and especially CO FE can be maintained over 85% in a wide operating potential range from -0.5 V to -1.0 V. DFT calculations and experimental researches demonstrate that the superior activity is attributed to enhanced adsorption energies of CO2* and COOH* intermediates caused by the change of electronic structure of aminated catalysts. This work provides an ingenious method for significantly increasing current density at industrial-relevant level of single-atom catalysts for CO2RR.

Engineering Ag–Nx Single-Atom Sites on Porous Concave N-Doped Carbon for Boosting CO2 Electroreduction

2021 ◽  
Author(s):  
Rui Sui ◽  
Jiajing Pei ◽  
Jinjie Fang ◽  
Xuejiang Zhang ◽  
Yufeng Zhang ◽  
...  
Keyword(s):  
Single Atom ◽  
Co2 Electroreduction

Double Boosting Single Atom Fe-N4 Sites for High Efficiency O2 and CO2 Electroreduction

Carbon ◽  
2021 ◽  
Author(s):  
Huijuan Yang ◽  
Xingpu Wang ◽  
ShengBao Wang ◽  
Pengyang Zhang ◽  
Chi Xiao ◽  
...  
Keyword(s):  
High Efficiency ◽  
Single Atom ◽  
Co2 Electroreduction

Oxygen defects-stabilized heterogeneous single atom catalysts: preparation, property and catalytic application

2021 ◽  
Author(s):  
Lei Zhang ◽  
Xiu-Fei Zhao ◽  
Zhengqiu Yuan ◽  
Ming Wu ◽  
Hu Zhou
Keyword(s):  
Electronic Structure ◽  
Single Atom ◽  
Metal Species ◽  
Coordination Environment ◽  
Chemical Catalysis ◽  
Catalytic Application ◽  
Oxygen Defects ◽  
Catalysts Preparation

Single atom catalysts (SACs) show outstanding activity and selectivity in chemical catalysis owing to its unique electronic structure and unsaturated coordination environment, in which every dispersed metal species on support...

scholarly journals Modulating electronic structure of metal-organic frameworks by introducing atomically dispersed Ru for efficient hydrogen evolution

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Yamei Sun ◽  
Ziqian Xue ◽  
Qinglin Liu ◽  
Yaling Jia ◽  
Yinle Li ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Density Functional ◽  
Metal Organic Frameworks ◽  
Catalyst Design ◽  
Single Atom ◽  
Hydrogen Energy ◽  
Structure Of Metal ◽  
Metal Organic

AbstractDeveloping high-performance electrocatalysts toward hydrogen evolution reaction is important for clean and sustainable hydrogen energy, yet still challenging. Herein, we report a single-atom strategy to construct excellent metal-organic frameworks (MOFs) hydrogen evolution reaction electrocatalyst (NiRu0.13-BDC) by introducing atomically dispersed Ru. Significantly, the obtained NiRu0.13-BDC exhibits outstanding hydrogen evolution activity in all pH, especially with a low overpotential of 36 mV at a current density of 10 mA cm−2 in 1 M phosphate buffered saline solution, which is comparable to commercial Pt/C. X-ray absorption fine structures and the density functional theory calculations reveal that introducing Ru single-atom can modulate electronic structure of metal center in the MOF, leading to the optimization of binding strength for H2O and H*, and the enhancement of HER performance. This work establishes single-atom strategy as an efficient approach to modulate electronic structure of MOFs for catalyst design.

Understanding the role of axial O in CO2 electroreduction on NiN4 single-atom catalysts via simulations in realistic electrochemical environment

2021 ◽  
Author(s):  
Xu Hu ◽  
Sai Yao ◽  
Letian Chen ◽  
Xu Zhang ◽  
Menggai Jiao ◽  
...  
Keyword(s):  
Sustainable Development ◽  
Heterogeneous Catalysis ◽  
Co2 Reduction ◽  
Reduction Reaction ◽  
Single Atom ◽  
Electrochemical Co2 Reduction ◽  
Co2 Electroreduction ◽  
Important Approach ◽  
Co2 Reduction Reaction

Electrochemical CO2 reduction reaction (CO2RR) is a very important approach to realize sustainable development. Single-atom catalysts show advantages in both homogeneous and heterogeneous catalysis, and considerable progress has been made...

Methane Activation on Single-Atom Ir-doped Metal Nanoparticles from First-principles

2021 ◽  
Author(s):  
Yugang Ren ◽  
Xiaojing Liu ◽  
Zhaojun Zhang ◽  
Xiangjian Shen
Keyword(s):  
Electronic Structure ◽  
Heterogeneous Catalysis ◽  
Metal Nanoparticles ◽  
First Principles ◽  
Methane Activation ◽  
Single Atom ◽  
Surface Electronic Structure

The breaking of the C-H bond of CH4 is of great importance and one of the most efficient strategies in heterogeneous catalysis is to alter surface electronic structure by doping...

scholarly journals Coordination modulation of iridium single-atom catalyst maximizing water oxidation activity

2022 ◽  
Vol 13 (1) ◽  
Author(s):  
Zhanwu Lei ◽  
Wenbin Cai ◽  
Yifei Rao ◽  
Kuan Wang ◽  
Yuyuan Jiang ◽  
...  
Keyword(s):  
High Activity ◽  
Current Density ◽  
Water Oxidation ◽  
Distribution Density ◽  
High Surface ◽  
Single Atom ◽  
Surface Distribution ◽  
Oxidation Activity ◽  
Nanosheet Arrays ◽  
A Current

AbstractSingle-atom catalysts (SACs) have attracted tremendous research interests in various energy-related fields because of their high activity, selectivity and 100% atom utilization. However, it is still a challenge to enhance the intrinsic and specific activity of SACs. Herein, we present an approach to fabricate a high surface distribution density of iridium (Ir) SAC on nickel-iron sulfide nanosheet arrays substrate (Ir1/NFS), which delivers a high water oxidation activity. The Ir1/NFS catalyst offers a low overpotential of ~170 mV at a current density of 10 mA cm−2 and a high turnover frequency of 9.85 s−1 at an overpotential of 300 mV in 1.0 M KOH solution. At the same time, the Ir1/NFS catalyst exhibits a high stability performance, reaching a lifespan up to 350 hours at a current density of 100 mA cm−2. First-principles calculations reveal that the electronic structures of Ir atoms are significantly regulated by the sulfide substrate, endowing an energetically favorable reaction pathway. This work represents a promising strategy to fabricate high surface distribution density single-atom catalysts with high activity and durability for electrochemical water splitting.

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