Boosting Activity and Stability of Metal Single-Atom Catalysts via Regulation of Coordination Number and Local Composition

2021 ◽  
Author(s):  
Leilei Wang ◽  
Chuwei Zhu ◽  
Mingquan Xu ◽  
Chuanlin Zhao ◽  
Jian Gu ◽  
...  
Keyword(s):  
Coordination Number ◽  
Single Atom ◽  
Local Composition

scholarly journals Regulating coordination number in atomically dispersed Pt species on defect-rich graphene for n-butane dehydrogenation reaction

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Xiaowen Chen ◽  
Mi Peng ◽  
Xiangbin Cai ◽  
Yunlei Chen ◽  
Zhimin Jia ◽  
...  
Keyword(s):  
Coordination Number ◽  
Density Functional ◽  
Activation Barrier ◽  
Density Functional Theory Calculation ◽  
Catalytic Performance ◽  
Atomic Level ◽  
Metal Nanoparticle ◽  
Single Atom ◽  
Nano Structure ◽  
Theory Calculation

AbstractMetal nanoparticle (NP), cluster and isolated metal atom (or single atom, SA) exhibit different catalytic performance in heterogeneous catalysis originating from their distinct nanostructures. To maximize atom efficiency and boost activity for catalysis, the construction of structure–performance relationship provides an effective way at the atomic level. Here, we successfully fabricate fully exposed Pt3 clusters on the defective nanodiamond@graphene (ND@G) by the assistance of atomically dispersed Sn promoters, and correlated the n-butane direct dehydrogenation (DDH) activity with the average coordination number (CN) of Pt-Pt bond in Pt NP, Pt3 cluster and Pt SA for fundamentally understanding structure (especially the sub-nano structure) effects on n-butane DDH reaction at the atomic level. The as-prepared fully exposed Pt3 cluster catalyst shows higher conversion (35.4%) and remarkable alkene selectivity (99.0%) for n-butane direct DDH reaction at 450 °C, compared to typical Pt NP and Pt SA catalysts supported on ND@G. Density functional theory calculation (DFT) reveal that the fully exposed Pt3 clusters possess favorable dehydrogenation activation barrier of n-butane and reasonable desorption barrier of butene in the DDH reaction.

scholarly journals Shifting the scaling relations of single-atom catalysts for facile methane activation by tuning the coordination number

2021 ◽  
Author(s):  
Changhyeok Choi ◽  
Sungho Yoon ◽  
Yousung Jung
Keyword(s):  
Transition State ◽  
Coordination Number ◽  
Active Sites ◽  
Methane Activation ◽  
Single Atom ◽  
Scaling Relations ◽  
Scaling Relationship ◽  
Relationship Of

The scaling relationship of methane activation via a radical-like transition state shifts toward a more reactive region with decreasing coordination number of the active sites.

scholarly journals Coordination Number Regulation of Molybdenum Single-Atom Nanozyme Peroxidase-like Specificity

Chem ◽  
2020 ◽  
Author(s):  
Ying Wang ◽  
Guangri Jia ◽  
Xiaoqiang Cui ◽  
Xiao Zhao ◽  
Qinghua Zhang ◽  
...  
Keyword(s):  
Coordination Number ◽  
Single Atom

scholarly journals Tuning the coordination number of Fe single atoms for the efficient reduction of CO2

2020 ◽  
Vol 22 (21) ◽  
pp. 7529-7536
Author(s):  
Huihuang Chen ◽  
Xu Guo ◽  
Xiangdong Kong ◽  
Yulin Xing ◽  
Yan Liu ◽  
...  
Keyword(s):  
Coordination Number ◽  
Single Atom ◽  
Single Atoms ◽  
Electrocatalytic Performance ◽  
Efficient Reduction ◽  
Co Conversion ◽  
Reduction Of Co2

The coordination number of Fe single-atom catalysts (Fe–N5/Fe–N6) significantly affects the electrocatalytic performance during CO2-to-CO conversion.

Construction of Single-atom Copper Sites with Low Coordination Number for the Efficient CO2 Electroreduction to CH4

2021 ◽  
Author(s):  
Shaomin Wei ◽  
Xingxing Jiang ◽  
Congyi He ◽  
Siyu Wang ◽  
Qi Hu ◽  
...  
Keyword(s):  
High Temperature ◽  
Coordination Number ◽  
Strong Acid ◽  
Single Atom ◽  
Acid Etching ◽  
Co2 Electroreduction ◽  
Copper Sites ◽  
Harsh Conditions

Generally speaking, the preparation of single-atom catalysts always requires harsh conditions such as high-temperature pyrolysis or strong acid etching. In this manuscript, a simple and effective plasma-activated strategy is employed...

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