Understanding the modulation mechanism of B-site doping on the thermochemical properties of CaMnO<sub>3−<i>δ</i></sub>: an experimental and computational study-Reference-Cited by-同舟云学术

Understanding the modulation mechanism of B-site doping on the thermochemical properties of CaMnO_3−δ: an experimental and computational study

Published:2024 Issue:10 Volume:12 Page:5885-5897
ISSN:2050-7488
Container-title:Journal of Materials Chemistry A
language:en
Short-container-title:J. Mater. Chem. A

Author:

Ning Zeyu¹²,Gan Shengchi¹²,Xu Haoran¹²,Gu Changdong³^ORCID,Zhu Peiwang¹²,Zhou Jinsong¹²^ORCID,Xiao Gang¹²^ORCID

Affiliation:

1. State Key Laboratory of Clean Energy Utilization, Institute for Thermal Power Engineering, Zhejiang University, Hangzhou 310027, P. R. China

2. Key Laboratory of Clean Energy and Carbon Neutrality of Zhejiang Province, Jiaxing Research Institute, Zhejiang University, Hangzhou 310027, P. R. China

3. State Key Laboratory of Silicon Materials, College of Materials Science and Engineering, Zhejiang University, Hangzhou 310027, P. R. China

Abstract

Cr and Fe doping disrupts the electronegativity and bond energy balance of CaMnO3, creating different active sites and enhancing the reactivity. Bond energy calculations allow the prediction of reaction temperature and reaction enthalpy.

Funder

Fundamental Research Funds for the Central Universities

National Natural Science Foundation of China

Science Fund for Distinguished Young Scholars of Zhejiang Province

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/TA/D3TA04632J

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