Synthesis and electrochemical properties of monoclinic LiMnBO3 as a Li intercalation material

Jae Chul Kim; Charles J. Moore; Byoungwoo Kang; Geoffroy Hautier; Anubhav Jain; Gerbrand Ceder

doi:10.1149/1.3536532

Synthesis and electrochemical properties of monoclinic LiMnBO₃ as a Li intercalation material

Jae Chul Kim
, Charles J. Moore
, Byoungwoo Kang
, Geoffroy Hautier
, Anubhav Jain
, Gerbrand Ceder

Department of Chemical Engineering and Materials Science

Stevens Institute of Technology

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

Abstract

We investigated the structural stability and electrochemical properties of LiMnB O₃ in the hexagonal and monoclinic form with ab initio computations and, for the first time, report electrochemical data on monoclinic LiMnB O₃. In contrast to the negligible Li-storage capacity in the hexagonal LiMnB O₃, a second cycle discharge capacity of 100 mAh/g was achieved in the monoclinic LiMnB O₃, with good capacity retention over multiple cycles. Elevated temperature cycling indicates that the capacity of monoclinic LiMnB O₃ is kinetically limited, and further improvement may be expected by addressing the Li ion and/or electron transport limitations.

Original language	English
Pages (from-to)	A309-A315
Journal	Journal of the Electrochemical Society
Volume	158
Issue number	3
DOIs	https://doi.org/10.1149/1.3536532
State	Published - 2011

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

SDG 7 Affordable and Clean Energy

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Renewable Energy, Sustainability and the Environment
Condensed Matter Physics
Surfaces, Coatings and Films
Electrochemistry
Materials Chemistry

Access to Document

10.1149/1.3536532

Cite this

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abstract = "We investigated the structural stability and electrochemical properties of LiMnB O3 in the hexagonal and monoclinic form with ab initio computations and, for the first time, report electrochemical data on monoclinic LiMnB O3. In contrast to the negligible Li-storage capacity in the hexagonal LiMnB O3, a second cycle discharge capacity of 100 mAh/g was achieved in the monoclinic LiMnB O3, with good capacity retention over multiple cycles. Elevated temperature cycling indicates that the capacity of monoclinic LiMnB O3 is kinetically limited, and further improvement may be expected by addressing the Li ion and/or electron transport limitations.",

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AU - Kim, Jae Chul

AU - Moore, Charles J.

AU - Kang, Byoungwoo

AU - Hautier, Geoffroy

AU - Jain, Anubhav

AU - Ceder, Gerbrand

PY - 2011

Y1 - 2011

N2 - We investigated the structural stability and electrochemical properties of LiMnB O3 in the hexagonal and monoclinic form with ab initio computations and, for the first time, report electrochemical data on monoclinic LiMnB O3. In contrast to the negligible Li-storage capacity in the hexagonal LiMnB O3, a second cycle discharge capacity of 100 mAh/g was achieved in the monoclinic LiMnB O3, with good capacity retention over multiple cycles. Elevated temperature cycling indicates that the capacity of monoclinic LiMnB O3 is kinetically limited, and further improvement may be expected by addressing the Li ion and/or electron transport limitations.

AB - We investigated the structural stability and electrochemical properties of LiMnB O3 in the hexagonal and monoclinic form with ab initio computations and, for the first time, report electrochemical data on monoclinic LiMnB O3. In contrast to the negligible Li-storage capacity in the hexagonal LiMnB O3, a second cycle discharge capacity of 100 mAh/g was achieved in the monoclinic LiMnB O3, with good capacity retention over multiple cycles. Elevated temperature cycling indicates that the capacity of monoclinic LiMnB O3 is kinetically limited, and further improvement may be expected by addressing the Li ion and/or electron transport limitations.

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