1D hybrid consisting of LiTi2(PO4)3 with highly-active (1 1 3) crystal facets and carbon nanotubes: A bidirectional catalyst for advanced lithium-sulfur batteries

Mao Qian; Yakun Tang; Lang Liu; Yue Zhang; Xiaohui Li; Jia Jia Chen; Chendong Fang; Yaojie Lei; Guoxiu Wang

doi:10.1016/j.cej.2025.159727

1D hybrid consisting of LiTi₂(PO₄)₃ with highly-active (1 1 3) crystal facets and carbon nanotubes: A bidirectional catalyst for advanced lithium-sulfur batteries

Mao Qian, Yakun Tang, Lang Liu, Yue Zhang, Xiaohui Li, Jia Jia Chen, Chendong Fang, Yaojie Lei, Guoxiu Wang

Research output: Contribution to journal › Article › peer-review

1 Scopus citations

Abstract

The slow conversion kinetics and shuttle effect of lithium polysulfides (LiPSs) significantly undermine the practical viability of lithium-sulfur (Li-S) batteries. Herein, we rationally develop a bidirectional catalyst consisting of the NASICON-type polyanionic phosphate of LiTi₂(PO₄)₃ nanoparticles semi-embedded on carbon nanotubes (LiTi₂(PO₄)₃/CNTs) toward these challenges. The amorphous carbon can not only regulate the particle size of LiTi₂(PO₄)₃ nanoparticles but also promote its isotropic growth, facilitating the transformation of LiTi₂(PO₄)₃ facets from the thermodynamically more stable (1 0 4) to the highly active (1 1 3). A special hybrid interface of LiTi₂(PO₄)₃ (1 1 3)-C is prepared to enable strong electronic donation from carbon to Ti atoms, which effectively regulates the metal Ti d band center, promotes the d-p orbital hybridization of LiTi₂(PO₄)₃/CNTs and significantly boosts its the catalytic ability for LiPSs. In-situ tests and theoretical calculations indicate that LiTi₂(PO₄)₃/CNTs enhance the adsorption-catalytic ability of LiPSs and reduce the energy barrier of liquid LiPSs to solid Li₂S, thus exhibiting superior electrochemical activity to actuate the translation from intermediates to discharge products. Thanks to the excellent catalytic ability and unique ion characteristics, the LTPC//LTPC@PEP//Li cell shows an impressive rate performance and reversible capability of 818 mAh/g after 300th cycles at 4C.

Original language	English
Article number	159727
Journal	Chemical Engineering Journal
Volume	505
DOIs	https://doi.org/10.1016/j.cej.2025.159727
State	Published - Feb 1 2025
Externally published	Yes

Scopus Subject Areas

General Chemistry
Environmental Chemistry
General Chemical Engineering
Industrial and Manufacturing Engineering

Keywords

Bidirectional catalysis
High active LiTi(PO) (1 1 3)-C
Hybrid interface
Lithium-sulfur batteries
NASICON-type polyanionic phosphate

Access to Document

10.1016/j.cej.2025.159727

Cite this

@article{2eab81c4be8042148cd1bbc2d3905612,

title = "1D hybrid consisting of LiTi2(PO4)3 with highly-active (1 1 3) crystal facets and carbon nanotubes: A bidirectional catalyst for advanced lithium-sulfur batteries",

abstract = "The slow conversion kinetics and shuttle effect of lithium polysulfides (LiPSs) significantly undermine the practical viability of lithium-sulfur (Li-S) batteries. Herein, we rationally develop a bidirectional catalyst consisting of the NASICON-type polyanionic phosphate of LiTi2(PO4)3 nanoparticles semi-embedded on carbon nanotubes (LiTi2(PO4)3/CNTs) toward these challenges. The amorphous carbon can not only regulate the particle size of LiTi2(PO4)3 nanoparticles but also promote its isotropic growth, facilitating the transformation of LiTi2(PO4)3 facets from the thermodynamically more stable (1 0 4) to the highly active (1 1 3). A special hybrid interface of LiTi2(PO4)3 (1 1 3)-C is prepared to enable strong electronic donation from carbon to Ti atoms, which effectively regulates the metal Ti d band center, promotes the d-p orbital hybridization of LiTi2(PO4)3/CNTs and significantly boosts its the catalytic ability for LiPSs. In-situ tests and theoretical calculations indicate that LiTi2(PO4)3/CNTs enhance the adsorption-catalytic ability of LiPSs and reduce the energy barrier of liquid LiPSs to solid Li2S, thus exhibiting superior electrochemical activity to actuate the translation from intermediates to discharge products. Thanks to the excellent catalytic ability and unique ion characteristics, the LTPC//LTPC@PEP//Li cell shows an impressive rate performance and reversible capability of 818 mAh/g after 300th cycles at 4C.",

keywords = "Bidirectional catalysis, High active LiTi(PO) (1 1 3)-C, Hybrid interface, Lithium-sulfur batteries, NASICON-type polyanionic phosphate",

author = "Mao Qian and Yakun Tang and Lang Liu and Yue Zhang and Xiaohui Li and Chen, {Jia Jia} and Chendong Fang and Yaojie Lei and Guoxiu Wang",

note = "Publisher Copyright: {\textcopyright} 2025",

year = "2025",

month = feb,

day = "1",

doi = "10.1016/j.cej.2025.159727",

language = "English",

volume = "505",

journal = "Chemical Engineering Journal",

issn = "1385-8947",

publisher = "Elsevier B.V.",

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TY - JOUR

T1 - 1D hybrid consisting of LiTi2(PO4)3 with highly-active (1 1 3) crystal facets and carbon nanotubes

T2 - A bidirectional catalyst for advanced lithium-sulfur batteries

AU - Qian, Mao

AU - Tang, Yakun

AU - Liu, Lang

AU - Zhang, Yue

AU - Li, Xiaohui

AU - Chen, Jia Jia

AU - Fang, Chendong

AU - Lei, Yaojie

AU - Wang, Guoxiu

PY - 2025/2/1

Y1 - 2025/2/1

N2 - The slow conversion kinetics and shuttle effect of lithium polysulfides (LiPSs) significantly undermine the practical viability of lithium-sulfur (Li-S) batteries. Herein, we rationally develop a bidirectional catalyst consisting of the NASICON-type polyanionic phosphate of LiTi2(PO4)3 nanoparticles semi-embedded on carbon nanotubes (LiTi2(PO4)3/CNTs) toward these challenges. The amorphous carbon can not only regulate the particle size of LiTi2(PO4)3 nanoparticles but also promote its isotropic growth, facilitating the transformation of LiTi2(PO4)3 facets from the thermodynamically more stable (1 0 4) to the highly active (1 1 3). A special hybrid interface of LiTi2(PO4)3 (1 1 3)-C is prepared to enable strong electronic donation from carbon to Ti atoms, which effectively regulates the metal Ti d band center, promotes the d-p orbital hybridization of LiTi2(PO4)3/CNTs and significantly boosts its the catalytic ability for LiPSs. In-situ tests and theoretical calculations indicate that LiTi2(PO4)3/CNTs enhance the adsorption-catalytic ability of LiPSs and reduce the energy barrier of liquid LiPSs to solid Li2S, thus exhibiting superior electrochemical activity to actuate the translation from intermediates to discharge products. Thanks to the excellent catalytic ability and unique ion characteristics, the LTPC//LTPC@PEP//Li cell shows an impressive rate performance and reversible capability of 818 mAh/g after 300th cycles at 4C.

AB - The slow conversion kinetics and shuttle effect of lithium polysulfides (LiPSs) significantly undermine the practical viability of lithium-sulfur (Li-S) batteries. Herein, we rationally develop a bidirectional catalyst consisting of the NASICON-type polyanionic phosphate of LiTi2(PO4)3 nanoparticles semi-embedded on carbon nanotubes (LiTi2(PO4)3/CNTs) toward these challenges. The amorphous carbon can not only regulate the particle size of LiTi2(PO4)3 nanoparticles but also promote its isotropic growth, facilitating the transformation of LiTi2(PO4)3 facets from the thermodynamically more stable (1 0 4) to the highly active (1 1 3). A special hybrid interface of LiTi2(PO4)3 (1 1 3)-C is prepared to enable strong electronic donation from carbon to Ti atoms, which effectively regulates the metal Ti d band center, promotes the d-p orbital hybridization of LiTi2(PO4)3/CNTs and significantly boosts its the catalytic ability for LiPSs. In-situ tests and theoretical calculations indicate that LiTi2(PO4)3/CNTs enhance the adsorption-catalytic ability of LiPSs and reduce the energy barrier of liquid LiPSs to solid Li2S, thus exhibiting superior electrochemical activity to actuate the translation from intermediates to discharge products. Thanks to the excellent catalytic ability and unique ion characteristics, the LTPC//LTPC@PEP//Li cell shows an impressive rate performance and reversible capability of 818 mAh/g after 300th cycles at 4C.

KW - Bidirectional catalysis

KW - High active LiTi(PO) (1 1 3)-C

KW - Hybrid interface

KW - Lithium-sulfur batteries

KW - NASICON-type polyanionic phosphate

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U2 - 10.1016/j.cej.2025.159727

DO - 10.1016/j.cej.2025.159727

M3 - Article

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SN - 1385-8947

VL - 505

JO - Chemical Engineering Journal

JF - Chemical Engineering Journal

M1 - 159727

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