Single-Site Au/Carbon Catalysts with Single-Atom and Au Nanoparticles for Acetylene Hydrochlorination

2020 ◽  
Vol 3 (3) ◽  
pp. 3004-3010 ◽  
Author(s):  
Guojun Lan ◽  
Qingfeng Ye ◽  
Yihan Zhu ◽  
Haodong Tang ◽  
Wenfeng Han ◽  
...  
Keyword(s):  
Au Nanoparticles ◽  
Single Site ◽  
Single Atom ◽  
Acetylene Hydrochlorination ◽  
Carbon Catalysts

Active site engineering of atomically dispersed transition metal-heteroatom-carbon catalysts for oxygen reduction

2021 ◽  
Author(s):  
Jiawei Zhu ◽  
Shichun Mu
Keyword(s):  
Transition Metal ◽  
Oxygen Reduction ◽  
Active Site ◽  
Catalytic Reactions ◽  
Single Atom ◽  
Carbon Catalysts

Owing to the advantage of atomic utilization, the single-atom catalyst has attracted much attention and been employed in multifarious catalytic reactions. Their definite site configuration is favorable for exploring the...

scholarly journals Acetylene hydrochlorination using Au/carbon: a journey towards single site catalysis

2017 ◽  
Vol 53 (86) ◽  
pp. 11733-11746 ◽  
Author(s):  
Grazia Malta ◽  
Simon J. Freakley ◽  
Simon A. Kondrat ◽  
Graham J. Hutchings
Keyword(s):  
Environmental Impact ◽  
Vinyl Chloride ◽  
Mercuric Chloride ◽  
Large Scale ◽  
Industrial Process ◽  
Single Site ◽  
Vinyl Chloride Monomer ◽  
Acetylene Hydrochlorination

The replacement of mercuric chloride in the production of vinyl chloride monomer, a precursor to PVC, would greatly reduce the environmental impact of this large scale industrial process.

Synergistic effect of two action sites on a nitrogen-doped carbon catalyst towards acetylene hydrochlorination

2020 ◽  
Vol 22 (37) ◽  
pp. 20995-20999
Author(s):  
Bolin Wang ◽  
Yuxue Yue ◽  
Xiangxue Pang ◽  
Wenrui Zhu ◽  
Zhi Chen ◽  
...  
Keyword(s):  
Synergistic Effect ◽  
Reaction Pathways ◽  
Dynamic Reaction ◽  
Carbon Catalyst ◽  
Acetylene Hydrochlorination ◽  
Nitrogen Doped ◽  
Carbon Catalysts ◽  
Nitrogen Doped Carbon

In this work, the dynamic reaction pathways of nitrogen-doped carbon catalysts are investigated in acetylene hydrochlorination.

scholarly journals Unified Mechanistic Understanding of CO2 Reduction to CO on Transition Metal and Single Atom Catalysts

2021 ◽  
Author(s):  
Sudarshan Vijay ◽  
Wen Ju ◽  
Sven Brückner ◽  
Peter Strasser ◽  
Karen Chan
Keyword(s):  
Electron Transfer ◽  
Electronic Structure ◽  
Transition Metal ◽  
Density Functional ◽  
Co2 Reduction ◽  
Electron Transfer Reaction ◽  
Dipole Field ◽  
Single Atom ◽  
Activity Measurements ◽  
Carbon Catalysts

<p>CO is the simplest product from CO<sub>2</sub> electroreduction (CO<sub>2</sub>R), but the identity and nature of its rate limiting step remains controversial. Here we investigate the activity of both transition metals (TMs) and metal-nitrogen doped carbon catalysts (MNCs), and a present unified mechanistic picture of CO<sub>2</sub>R to for both these classes of catalysts. By consideration of the electronic structure through a Newns-Andersen model, we find that on MNCs, like TMs, electron transfer to CO<sub>2</sub><sub> </sub>is facile, such that CO<sub>2</sub> (g) adsorption is driven by adsorbate dipole-field interactions. Using density functional theory with explicit consideration of the interfacial field, we find CO<sub>2</sub> * adsorption to generally be limiting on TMs, while MNCs can be limited by either CO<sub>2</sub>* adsorption or by the proton-electron transfer reaction to form COOH*. We evaluate these computed mechanisms against pH-dependent experimental activity measurements on CO<sub>2</sub>R to CO activity for Au, FeNC, and NiNC. We present a unified activity volcano that, in contrast to previous analyses, includes the decisive CO<sub>2</sub>*<sub> </sub>and COOH* binding strengths as well as the critical adsorbate dipole-field interactions. We furthermore show that MNC catalysts are tunable towards higher activity away from transition metal scaling, due to the stabilization of larger dipoles resulting from their discrete and narrow <i>d</i>-states. The analysis suggests two design principles for ideal catalysts: moderate CO<sub>2</sub>* and COOH* binding strengths as well as large dipoles on the CO<sub>2</sub>*<sub> </sub>intermediate. We suggest that these principles can be exploited in materials with similar electronic structure to MNCs, such as supported single-atom catalysts, molecules, and nanoclusters, 2D materials, and ionic compounds towards higher CO<sub>2</sub>R activity. This work captures the decisive impact of adsorbate dipole-field interactions in CO<sub>2</sub>R to CO and paves the way for computational-guided design of new catalysts for this reaction.</p>

Single-Atom AuI–N3 Site for Acetylene Hydrochlorination Reaction

ACS Catalysis ◽  
2020 ◽  
Vol 10 (3) ◽  
pp. 1865-1870 ◽  
Author(s):  
Zheng Chen ◽  
Yinjuan Chen ◽  
Songlin Chao ◽  
Xiaobin Dong ◽  
Wenxing Chen ◽  
...  
Keyword(s):  
Single Atom ◽  
Acetylene Hydrochlorination

Activity–Selectivity Trends in the Electrochemical Production of Hydrogen Peroxide over Single-Site Metal–Nitrogen–Carbon Catalysts

2019 ◽  
Vol 141 (31) ◽  
pp. 12372-12381 ◽  
Author(s):  
Yanyan Sun ◽  
Luca Silvioli ◽  
Nastaran Ranjbar Sahraie ◽  
Wen Ju ◽  
Jingkun Li ◽  
...  
Keyword(s):  
Hydrogen Peroxide ◽  
Single Site ◽  
Production Of Hydrogen ◽  
Electrochemical Production ◽  
Carbon Catalysts

scholarly journals Single‐Atom Catalysis: Sustainable Synthesis of Bimetallic Single Atom Gold‐Based Catalysts with Enhanced Durability in Acetylene Hydrochlorination (Small 16/2021)

Small ◽  
2021 ◽  
Vol 17 (16) ◽  
pp. 2170071
Author(s):  
Selina K. Kaiser ◽  
Adam H. Clark ◽  
Lucrezia Cartocci ◽  
Frank Krumeich ◽  
Javier Pérez‐Ramírez
Keyword(s):  
Single Atom ◽  
Acetylene Hydrochlorination
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