Transition metal decorated phthalocyanine as a potential host material for lithium polysulfides: a first-principles study-Reference-Cited by-同舟云学术

Transition metal decorated phthalocyanine as a potential host material for lithium polysulfides: a first-principles study

Author:

Xia Jiezhen¹²,Cao Rong¹²,Wu Qi¹²³

Affiliation:

1. Department of Physics, School of Science, Tibet University, Lhasa 850000, China

2. Institute of Oxygen Supply, Center of Tibetan Studies (Everest Research Institute), Tibet University, Lhasa 850000, China

3. Key Laboratory of Cosmic Rays (Tibet University), Ministry of Education, Lhasa 850000, China

Abstract

DFT calculations reveal that TMPc, especially ZrPc and NbPc exhibit the best anchoring and catalytic effects for lithium polysulfides.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

Reference48 articles.

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