DFT Calculation of Nonperiodic Small Molecular Systems to Predict the Reaction Mechanism of Advanced Oxidation Processes: Challenges and Perspectives-Reference-Cited by-同舟云学术

DFT Calculation of Nonperiodic Small Molecular Systems to Predict the Reaction Mechanism of Advanced Oxidation Processes: Challenges and Perspectives

Published:2023-07-23 Issue:1 Volume:4 Page:4-18
ISSN:2690-0645
Container-title:ACS ES&T Engineering
language:en
Short-container-title:ACS EST Eng.

Author:

Liang Jialiang¹^ORCID,Zhen Peng¹,Gan Pengfei¹,Li Yunyi¹,Tong Meiping²^ORCID,Liu Wen²^ORCID

Affiliation:

1. Key Laboratory of Three Gorges Reservoir Region’s Eco-Environment, Ministry of Education, Chongqing University, Chongqing 400045, P. R. China

2. The Key Laboratory of Water and Sediment Sciences, Ministry of Education, College of Environmental Sciences and Engineering, Peking University, Beijing 100871, P. R. China

Funder

National Key Research and Development Program of China

Beijing Nova Program

National Natural Science Foundation of China

Emerging Engineering Interdisciplinary-Young Scholars Project,

Publisher

American Chemical Society (ACS)

Subject

Chemical Health and Safety,Process Chemistry and Technology,Environmental Chemistry,Chemical Engineering (miscellaneous)

Link

https://pubs.acs.org/doi/pdf/10.1021/acsestengg.3c00204

Reference122 articles.

1. Efficient catalytic ozonation over Co-ZFO@Mn-CN for oxalic acid degradation: Synergistic effect of oxygen vacancies and HOO-Mn-NX bonds

2. Influence of anions on ozonation of bisphenol AF: Kinetics, reaction pathways, and toxicity assessment

3. WS2-cocatalyzed peroxymonosulfate activation via an enhanced Fe(III)/Fe(II) cycle toward efficient organic pollutant degradation

4. Further understanding the role of hydroxylamine in transformation of reactive species in Fe(II)/peroxydisulfate system

5. Non-radical degradation of organic pharmaceuticals by g-C3N4 under visible light irradiation: The overlooked role of excitonic energy transfer

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