The thermal instability of hydrogen-substituted graphdiyne and its role in lithium–sulfur batteries

Eeso, Karam; Wygant, Bryan Russell; Chen, Zhitao; Sarswat, Akriti; Lambert, Timothy Norman; Liu, Nian

doi:10.1039/d4cc04459b

Title: The thermal instability of hydrogen-substituted graphdiyne and its role in lithium–sulfur batteries

Journal Article · 05 November 2024 · ChemComm

DOI: https://doi.org/10.1039/d4cc04459b · OSTI ID:2479006

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^[2]; Chen, Zhitao ^[1];

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^[3]; Liu, Nian ^[1]

Georgia Institute of Technology, Atlanta, GA (United States)
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Center for Integrated Nanotechnologies

Here, this study reveals the role of thermal instability in hydrogen-substituted graphdiyne (HsGDY) and its impact on lithium–sulfur (Li–S) battery performance. HsGDY undergoes significant chemical and physical transformations when subjected to thermal heating, both in the presence and absence of sulfur. Our findings suggest that the structural transformation of HsGDY into a graphene-like structure is primarily responsible for enhancing sulfur trapping and reducing the polysulfide shuttle effect, rather than the previously hypothesized alkyne–sulfur chemical interactions.

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Research Organization:: Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)

Sponsoring Organization:: USDOE; USDOE Laboratory Directed Research and Development (LDRD) Program; USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)

Grant/Contract Number:: NA0003525

OSTI ID:: 2479006

Report Number(s):: SAND--2025-04962J

Journal Information:: ChemComm, Journal Name: ChemComm Journal Issue: 96 Vol. 60; ISSN 1359-7345

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

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