Synthesis of MAX phases Nb2CuC and Ti2(Al0.1Cu0.9)N by A-site replacement reaction in molten salts

Haoming Ding; Youbing Li; Jun Lu; Kan Luo; Ke Chen; Mian Li; Per O.Å. Persson; Lars Hultman; Per Eklund; Shiyu Du; Zhengren Huang; Zhifang Chai; Hongjie Wang; Ping Huang; Qing Huang

doi:10.1080/21663831.2019.1672822

Synthesis of MAX phases Nb₂CuC and Ti₂(Al_0.1Cu_0.9)N by A-site replacement reaction in molten salts

Haoming Ding
, Youbing Li
, Jun Lu
, Kan Luo
, Ke Chen
, Mian Li
, Per O.Å. Persson
, Lars Hultman
, Per Eklund
, Shiyu Du
, Zhengren Huang
, Zhifang Chai
, Hongjie Wang
, Ping Huang
, Qing Huang

School of Materials Science and Engineering

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

87 Scopus citations

Abstract

New MAX phases Ti₂(Al_xCu_1−x)N and Nb₂CuC were synthesized by A-site replacement by reacting Ti₂AlN and Nb₂AlC, respectively, with CuCl₂ or CuI molten salt. X-ray diffraction, scanning electron microscopy, and atomically resolved scanning transmission electron microscopy showed complete A-site replacement in Nb₂AlC, which lead to the formation of Nb₂CuC. However, the replacement of Al in Ti₂AlN phase was only close to complete at Ti₂(Al_0.1Cu_0.9)N. Density-functional theory calculations corroborated the structural stability of Nb₂CuC and Ti₂CuN phases. Moreover, the calculated cleavage energy in these Cu-containing MAX phases are weaker than in their Al-containing counterparts.

Original language	English
Pages (from-to)	510-516
Number of pages	7
Journal	Materials Research Letters
Volume	7
Issue number	12
DOIs	https://doi.org/10.1080/21663831.2019.1672822
State	Published - 2 Dec 2019

Keywords

MAX phase
copper
density-functional theory
replacement reaction

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10.1080/21663831.2019.1672822

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title = "Synthesis of MAX phases Nb2CuC and Ti2(Al0.1Cu0.9)N by A-site replacement reaction in molten salts",

abstract = "New MAX phases Ti2(AlxCu1−x)N and Nb2CuC were synthesized by A-site replacement by reacting Ti2AlN and Nb2AlC, respectively, with CuCl2 or CuI molten salt. X-ray diffraction, scanning electron microscopy, and atomically resolved scanning transmission electron microscopy showed complete A-site replacement in Nb2AlC, which lead to the formation of Nb2CuC. However, the replacement of Al in Ti2AlN phase was only close to complete at Ti2(Al0.1Cu0.9)N. Density-functional theory calculations corroborated the structural stability of Nb2CuC and Ti2CuN phases. Moreover, the calculated cleavage energy in these Cu-containing MAX phases are weaker than in their Al-containing counterparts.",

keywords = "MAX phase, copper, density-functional theory, replacement reaction",

author = "Haoming Ding and Youbing Li and Jun Lu and Kan Luo and Ke Chen and Mian Li and Persson, \{Per O.{\AA}.\} and Lars Hultman and Per Eklund and Shiyu Du and Zhengren Huang and Zhifang Chai and Hongjie Wang and Ping Huang and Qing Huang",

note = "Publisher Copyright: {\textcopyright} 2019, {\textcopyright} 2019 The Author(s). Published by Informa UK Limited, trading as Taylor \& Francis Group.",

year = "2019",

month = dec,

day = "2",

doi = "10.1080/21663831.2019.1672822",

language = "英语",

volume = "7",

pages = "510--516",

journal = "Materials Research Letters",

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TY - JOUR

T1 - Synthesis of MAX phases Nb2CuC and Ti2(Al0.1Cu0.9)N by A-site replacement reaction in molten salts

AU - Ding, Haoming

AU - Li, Youbing

AU - Lu, Jun

AU - Luo, Kan

AU - Chen, Ke

AU - Li, Mian

AU - Persson, Per O.Å.

AU - Hultman, Lars

AU - Eklund, Per

AU - Du, Shiyu

AU - Huang, Zhengren

AU - Chai, Zhifang

AU - Wang, Hongjie

AU - Huang, Ping

AU - Huang, Qing

PY - 2019/12/2

Y1 - 2019/12/2

N2 - New MAX phases Ti2(AlxCu1−x)N and Nb2CuC were synthesized by A-site replacement by reacting Ti2AlN and Nb2AlC, respectively, with CuCl2 or CuI molten salt. X-ray diffraction, scanning electron microscopy, and atomically resolved scanning transmission electron microscopy showed complete A-site replacement in Nb2AlC, which lead to the formation of Nb2CuC. However, the replacement of Al in Ti2AlN phase was only close to complete at Ti2(Al0.1Cu0.9)N. Density-functional theory calculations corroborated the structural stability of Nb2CuC and Ti2CuN phases. Moreover, the calculated cleavage energy in these Cu-containing MAX phases are weaker than in their Al-containing counterparts.

AB - New MAX phases Ti2(AlxCu1−x)N and Nb2CuC were synthesized by A-site replacement by reacting Ti2AlN and Nb2AlC, respectively, with CuCl2 or CuI molten salt. X-ray diffraction, scanning electron microscopy, and atomically resolved scanning transmission electron microscopy showed complete A-site replacement in Nb2AlC, which lead to the formation of Nb2CuC. However, the replacement of Al in Ti2AlN phase was only close to complete at Ti2(Al0.1Cu0.9)N. Density-functional theory calculations corroborated the structural stability of Nb2CuC and Ti2CuN phases. Moreover, the calculated cleavage energy in these Cu-containing MAX phases are weaker than in their Al-containing counterparts.

KW - MAX phase

KW - copper

KW - density-functional theory

KW - replacement reaction

UR - https://www.scopus.com/pages/publications/85073675118

U2 - 10.1080/21663831.2019.1672822

DO - 10.1080/21663831.2019.1672822

M3 - 文章

AN - SCOPUS:85073675118

SN - 2166-3831

VL - 7

SP - 510

EP - 516

JO - Materials Research Letters

JF - Materials Research Letters

IS - 12

ER -

Synthesis of MAX phases Nb₂CuC and Ti₂(Al_0.1Cu_0.9)N by A-site replacement reaction in molten salts

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Keywords

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