DFT–kMC Analysis for Identifying Novel Bimetallic Electrocatalysts for Enhanced NRR Performance by Suppressing HER at Ambient Conditions Via Active-Site Separation-Reference-Cited by-同舟云学术

DFT–kMC Analysis for Identifying Novel Bimetallic Electrocatalysts for Enhanced NRR Performance by Suppressing HER at Ambient Conditions Via Active-Site Separation

Published:2022-12-06 Issue:24 Volume:12 Page:15609-15617
ISSN:2155-5435
Container-title:ACS Catalysis
language:en
Short-container-title:ACS Catal.

Author:

Lee Chi Ho¹²,Pahari Silabrata¹²,Sitapure Niranjan¹²,Barteau Mark A.¹²^ORCID,Kwon Joseph Sang-Il¹²^ORCID

Affiliation:

1. Artie McFerrin Department of Chemical Engineering, Texas A&M University, College Station, Texas77843, United States

2. Texas A&M Energy Institute, College Station, Texas77843, United States

Funder

Artie McFerrin Department of Chemical Engineering, Texas A and M University

Texas A&M Energy Institute

Publisher

American Chemical Society (ACS)

Subject

Catalysis,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acscatal.2c04797

Reference43 articles.

1. Photocatalysis and Photoelectrocatalysis Methods of Nitrogen Reduction for Sustainable Ammonia Synthesis

2. Ambient Ammonia Electrosynthesis: Current Status, Challenges, and Perspectives

3. New recipe produces ammonia from air, water, and sunlight

4. Electrochemical nitrogen fixation and utilization: theories, advanced catalyst materials and system design

5. Electrocatalytic Reduction of Nitrogen: From Haber-Bosch to Ammonia Artificial Leaf

Cited by 39 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Exploring dynamics in single atom catalyst research: A comprehensive DFT-kMC study of nitrogen reduction reaction with focus on TM aggregation;Applied Catalysis B: Environment and Energy;2024-12

2. Constructing interfacial polarization to improve electrocatalytic nitrogen reduction reactions in polyoxometalates-based metal-organic framework-derived Fe7S8-WS2-Co9S8 multi-phase heterostructures;Journal of Alloys and Compounds;2024-10

3. Bi₂Ti₂O₇ Quantum Dots for Efficient Photocatalytic Fixation of Nitrogen to Ammonia: Impacts of Shallow Energy Levels;Advanced Science;2024-09-05

4. Progress in electrolyte regulation to enhance nitrogen reduction reaction;Chemical Engineering Journal;2024-09

5. A multiphysics model for predicting spatiotemporal temperature profiles in microwave-heated carbon capture processes;Chemical Engineering Journal;2024-09