Theoretical insights into catalytic CO2 hydrogenation over single-atom (Fe or Ni) incorporated nitrogen-doped graphene

2021 ◽  
Vol 48 ◽  
pp. 101532
Author(s):  
Preeyaporn Poldorn ◽  
Yutthana Wongnongwa ◽  
Tanabat Mudchimo ◽  
Siriporn Jungsuttiwong
Keyword(s):  
Co2 Hydrogenation ◽  
Single Atom ◽  
Nitrogen Doped ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene ◽  
Incorporated Nitrogen

Theoretical insights into the thermal reduction of N2 to NH3 over a single metal atom incorporated nitrogen-doped graphene

2021 ◽  
Vol 154 (5) ◽  
pp. 054703
Author(s):  
Zhongpu Fang ◽  
Qi Wang ◽  
Yanli Li ◽  
Yi Li ◽  
Shuping Huang ◽  
...  
Keyword(s):  
Metal Atom ◽  
Thermal Reduction ◽  
Nitrogen Doped ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene ◽  
Incorporated Nitrogen

Nickel-Incorporated, Nitrogen-Doped Graphene Nanoribbons as Efficient Electrocatalysts for Oxygen Evolution Reaction

2018 ◽  
Vol 165 (3) ◽  
pp. H141-H146 ◽  
Author(s):  
Jaison Joy ◽  
Archana Sekar ◽  
Saranyan Vijayaraghavan ◽  
Prem Kumar T. ◽  
Vijayamohanan K Pillai ◽  
...  
Keyword(s):  
Oxygen Evolution ◽  
Oxygen Evolution Reaction ◽  
Graphene Nanoribbons ◽  
Nitrogen Doped ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene ◽  
Incorporated Nitrogen

scholarly journals Structural, electronic and catalytic performances of single-atom Fe stabilized by divacancy-nitrogen-doped graphene

RSC Advances ◽  
2017 ◽  
Vol 7 (13) ◽  
pp. 7920-7928 ◽  
Author(s):  
Zhiyong Liu ◽  
Tingwei He ◽  
Kaikai Liu ◽  
Weiguang Chen ◽  
Yanan Tang
Keyword(s):  
First Principles ◽  
Catalytic Properties ◽  
Single Atom ◽  
First Principles Calculations ◽  
Nitrogen Doped ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene ◽  
Catalytic Performances

The geometric, electronic and catalytic properties of a single-atom Fe embedded GN4 sheet (Fe–GN4) were systematically studied using first-principles calculations.

Pd Single‐Atom Catalysts on Nitrogen‐Doped Graphene for the Highly Selective Photothermal Hydrogenation of Acetylene to Ethylene

2019 ◽  
Vol 31 (18) ◽  
pp. 1900509 ◽  
Author(s):  
Shiqi Zhou ◽  
Lu Shang ◽  
Yunxuan Zhao ◽  
Run Shi ◽  
Geoffrey I. N. Waterhouse ◽  
...  
Keyword(s):  
Single Atom ◽  
Nitrogen Doped ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene

Computational screening of efficient graphene-supported transition metal single atom catalysts toward the oxygen reduction reaction

2020 ◽  
Vol 8 (37) ◽  
pp. 19319-19327 ◽  
Author(s):  
Lei Li ◽  
Rao Huang ◽  
Xinrui Cao ◽  
Yuhua Wen
Keyword(s):  
Transition Metal ◽  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
Reduction Reaction ◽  
Single Atom ◽  
Nitrogen Doped ◽  
Single Atoms ◽  
Computational Screening ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene

Transition metal single atoms anchored on nitrogen-doped graphene toward the oxygen reduction reaction have been screened.

Adsorption characteristics of formaldehyde on nitrogen doped graphene-based single atom adsorbents: A DFT study

2019 ◽  
Vol 493 ◽  
pp. 1260-1267 ◽  
Author(s):  
Zhijian Liu ◽  
Dewang Zhang ◽  
Tianhe Wei ◽  
Liangqi Wang ◽  
Xiaojing Li ◽  
...  
Keyword(s):  
Dft Study ◽  
Single Atom ◽  
Nitrogen Doped ◽  
Adsorption Characteristics ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene

scholarly journals Strain-Controlled Single Cr Embedded Nitrogen-Doped Graphene Achieve Efficient Nitrogen Reduction

2021 ◽  
Author(s):  
Chao Lin ◽  
Xiaopeng Liu ◽  
Jiale Qu ◽  
Xiang Feng ◽  
Zhi Wei Seh ◽  
...  
Keyword(s):  
Electronic State ◽  
Reduction Reaction ◽  
State Regulation ◽  
Single Atom ◽  
Nitrogen Reduction ◽  
Nitrogen Doped ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene

Single atom catalysts (SACs) have received much attention in the nitrogen reduction reaction (NRR) field due to their high atomic utilization and controllable electronic state regulation. It is attractive to...

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