scholarly journals Adsorption Energy Shifts for Oxygen and Hydroxyl on 4-atom Metal-Decorated Graphene Catalysts Via Solvation, pH, and Substrate Dopants: Effects on ORR Activity

Metals ◽  
2019 ◽  
Vol 9 (2) ◽  
pp. 227 ◽  
Author(s):  
Rees Rankin ◽  
Tamara Lozano
Keyword(s):  
Transition Metal ◽  
Energy System ◽  
Reduction Reaction ◽  
Metal Nanoparticle ◽  
Single Atom ◽  
Volcano Plot ◽  
Nanoparticle Catalysts ◽  
Orr Activity ◽  
Future Work ◽  
Intermetallic Nanoparticles

Recent literature results have highlighted the role of small transition metal and intermetallic nanoparticles supported on graphene as catalysts for many key applications in energy and commodity chemicals industries. Specifically, metal nanoparticle catalysts down to sizes of 4 and even 1 (single atom catalysts) on graphene have been studied for the Oxygen Reduction Reaction (ORR). A recent study showed that 4-atom transition metal intermetallic nanoparticles (NP) on graphene (metal-decorated graphene (MDG)) even generate a predictive Volcano Plot for ORR activity. Initial results from that study were not completely explained, and an expanded analysis and discussion built from that work is presented in this manuscript. Specifically, in this new work, the original Volcano Plot for 4-atom MDG NP catalysts for the ORR is analyzed for its counter-intuitive thermodynamic inversion between the rate limiting steps of O* hydrogenation and OH* hydrogenation. The Volcano Plot is then further studied for dependence on solvent correction energy, system pH, and with an initial probe on the sensitivity of descriptor values on doping of the graphene support via B and N atoms. Recommendations for optimum 4-atom MDG NP catalyst operation for the ORR are provided, and directions for future work and study are provided.

scholarly journals Transition-Metal Nanoparticle Catalysts Anchored on Carbon Supports via Short-Chain Alginate Linkers

2021 ◽  
Author(s):  
Joakim Tafjord ◽  
Erling Rytter ◽  
Anders Holmen ◽  
Rune Myrstad ◽  
Ingeborg-Helene Svenum ◽  
...  
Keyword(s):  
Transition Metal ◽  
Metal Nanoparticle ◽  
Short Chain ◽  
Carbon Supports ◽  
Nanoparticle Catalysts

First-principles screening of single transition metal atoms anchored on two-dimensional C9N4 for the nitrogen reduction reaction

2021 ◽  
Vol 23 (14) ◽  
pp. 8784-8791
Author(s):  
Qingling Meng ◽  
Ling Zhang ◽  
Jinge Wu ◽  
Shuwei Zhai ◽  
Xiamin Hao ◽  
...  
Keyword(s):  
Nitrogen Fixation ◽  
Transition Metal ◽  
First Principles ◽  
Reduction Reaction ◽  
Single Atom ◽  
Two Dimensional ◽  
Metal Atoms ◽  
Transition Metal Atoms ◽  
Catalytically Active ◽  
Single Transition

Theoretical screening of transition metal atoms anchored on monolayer C9N4 as highly stable, catalytically active and selective single-atom catalysts for nitrogen fixation.

Unravelling the Origin of Bifunctional OER/ORR Activity for Single-Atom Catalysts Supported on C2N by DFT and Machine Learning

2021 ◽  
Author(s):  
Yiran Ying ◽  
Ke Fan ◽  
Xin Luo ◽  
Jinli Qiao ◽  
Haitao Huang
Keyword(s):  
Machine Learning ◽  
Fuel Cells ◽  
Oxygen Evolution ◽  
High Performance ◽  
Reduction Reaction ◽  
Single Atom ◽  
Orr Activity

Designing high-performance bifunctional oxygen evolution/reduction reaction (OER/ORR) catalysts is a newly emerged topic with wide applications in metal-air batteries and fuel cells. Herein, we report a group of (27) single-atom...

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.

scholarly journals Transition Metal (Fe, Co, Ni) Nanoparticles on Selective Amino-N-Doped Carbon as High-Performance Oxygen Reduction Reaction Electrocatalyst

Nanomaterials ◽  
2019 ◽  
Vol 9 (5) ◽  
pp. 742 ◽  
Author(s):  
Seonghee Kim ◽  
Shuhei Kato ◽  
Takahiro Ishizaki ◽  
Oi Lun Li ◽  
Jun Kang
Keyword(s):  
Transition Metal ◽  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
High Performance ◽  
Reduction Reaction ◽  
Metal Nanoparticle ◽  
Superior Performance ◽  
Pt Catalyst ◽  
Hydrogen Electrode ◽  
Electrochemical Testing

Metal-air batteries are attracting increasing attention as a superior renewable energy conversion device due to their high performance and strong potential. However, the high cost and low stability of the current Pt catalyst is the main obstacle preventing wide industrial application. In this work, we applied a plasma process to fabricate aniline and a transition metals electrode (Fe, Co, Ni) as the carbon-nitrogen and the metal nanoparticle (NP) precursors, respectively, for selective metal/amino-N-doped carbon catalysts. All three as-synthesized catalysts exhibited dominant amino-N as the major C–N bonding state. In electrochemical testing, Co/amino-N-doped carbon showed positive E1/2 potential (0.83 V vs. Reversible Hydrogen Electrode (RHE)). In addition, the calculated electron transfer number (n) of Co/amino-N-doped carbon at 0.5 V vs. RHE was 3.81, which was only slightly less than that of commercial Pt/C (3.97). This superior performance of transition metal/amino-N-doped carbon promotes it as an economical oxygen reduction reaction (ORR) electrocatalyst to replace expensive Pt/C in metal-air batteries.

Recent Advances in Phosphorus‐Coordinated Transition Metal Single‐Atom Catalysts for Oxygen Reduction Reaction

ChemNanoMat ◽  
2020 ◽  
Vol 6 (11) ◽  
pp. 1601-1610
Author(s):  
Fengzhi Ning ◽  
Xin Wan ◽  
Xiaofang Liu ◽  
Ronghai Yu ◽  
Jianglan Shui
Keyword(s):  
Transition Metal ◽  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
Reduction Reaction ◽  
Single Atom ◽  
Recent Advances

Redispersion of transition metal nanoparticle catalysts in tetraalkylphosphonium ionic liquids

2013 ◽  
Vol 49 (31) ◽  
pp. 3227 ◽  
Author(s):  
Abhinandan Banerjee ◽  
Robin Theron ◽  
Robert W. J. Scott
Keyword(s):  
Ionic Liquids ◽  
Transition Metal ◽  
Metal Nanoparticle ◽  
Nanoparticle Catalysts
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