Electronic Structure Based Intuitive Design Principle of Single‐Atom Catalysts for Efficient Electrolytic Nitrogen Reduction

ChemCatChem ◽  
2020 ◽  
Vol 12 (21) ◽  
pp. 5456-5464
Author(s):  
Ritesh Kumar ◽  
Abhishek K. Singh
Keyword(s):  
Electronic Structure ◽  
Design Principle ◽  
Single Atom ◽  
Nitrogen Reduction ◽  
Intuitive Design

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.

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 Adsorption-regulated precise synthesis of atomically-dispersed bimetallic Fe-Co sites on carbon for electrocatalytic nitrogen reduction reaction

2021 ◽  
Author(s):  
Shengbo Zhang ◽  
Miaomiao Han ◽  
Tongfei Shi ◽  
Haimin Zhang ◽  
Yue Lin ◽  
...  
Keyword(s):  
Bacterial Cellulose ◽  
Reduction Reaction ◽  
Single Atom ◽  
Synthetic Approach ◽  
New Paradigm ◽  
Faradaic Efficiency ◽  
Nitrogen Reduction ◽  
Site Density

Abstract The intriguing features of single-atom catalysts (SACs) could bring catalysis into a new paradigm, however, controllably synthesising SACs with desired SA loadings and coordination forms are challenging. Here, we report an adsorption-regulated approach to precisely control the synthesis of bimetallic Fe-Co SAs on carbon. Bacterial cellulose (BC) is utilised as an adsorption regulator to controllably impregnate Fe3+/Co2+ on BC and through carbonisation to anchor Fe-Co SAs on BC-derived carbon via bimetallic [(O-C2)3Fe-Co(O-C2)3] coordination with desired Fe/Co contents and atomic ratios. Under electrocatalytic nitrogen reduction reaction (NRR) conditions, [(O-C2)3Fe-Co(O-C2)3] is operando transformed to [(O-C2)3Fe-Co(O-C)C2] that promotes and sustains NRR performance. A superb ammonia yield of 574.8 ± 35.3 μg h-1 mgcat.-1 with an exceptional faradaic efficiency of 73.2 ± 4.6% are obtained from an electrocatalyst with the highest bimetallic Fe-Co site density. The exemplified synthetic approach would be of generically applicable to controllably anchor SAs on carbon that enables meaningfully investigate and rationally design SACs.

Single‐Atom Gold Isolated Onto Nanoporous MoSe 2 for Boosting Electrochemical Nitrogen Reduction

Small ◽  
2021 ◽  
pp. 2104043
Author(s):  
Dechao Chen ◽  
Min Luo ◽  
Shoucong Ning ◽  
Jiao Lan ◽  
Wei Peng ◽  
...  
Keyword(s):  
Single Atom ◽  
Nitrogen Reduction

scholarly journals Transition metal-tetracyanoquinodimethane monolayers as single-atom catalysts for the electrocatalytic nitrogen reduction reaction

2020 ◽  
Vol 1 (5) ◽  
pp. 1285-1292 ◽  
Author(s):  
Yiran Ying ◽  
Ke Fan ◽  
Xin Luo ◽  
Jinli Qiao ◽  
Haitao Huang
Keyword(s):  
Transition Metal ◽  
Reduction Reaction ◽  
Single Atom ◽  
Nitrogen Reduction

Single Sc/Ti atoms supported on TCNQ monolayers have been explored as outstanding electrocatalysts for nitrogen reduction.

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