Quantitative Defect–Property Correlations in Ti3C2Tx MXenes via Precursor-Controlled Defect Engineering

Tufail Hassan; Doyeon Lee; Shabbir Madad Naqvi; Myungjae Kim; Jung Min Oh; Sang Woon Park; Aamir Iqbal; Soo Yeong Cho; Zhiwang Hao; Noushad Hussain; Zubair Khalid; Shakir Zaman; Xiangmeng Kong; Ki Min Roh; Hanjung Kwon; Chong Min Koo

doi:10.1007/s40820-026-02106-x

Quantitative Defect–Property Correlations in Ti₃C₂T_x MXenes via Precursor-Controlled Defect Engineering

Tufail Hassan
, Doyeon Lee
, Shabbir Madad Naqvi
, Myungjae Kim
, Jung Min Oh
, Sang Woon Park
, Aamir Iqbal
, Soo Yeong Cho
, Zhiwang Hao
, Noushad Hussain
, Zubair Khalid
, Shakir Zaman
, Xiangmeng Kong
, Ki Min Roh
, Hanjung Kwon^*
, Chong Min Koo^*

^*Corresponding author for this work

Metallurgical System Engineering

Sungkyunkwan University
Jeonbuk National University
Hyundai Motor Group
Swiss Federal Laboratories for Materials Science and Technology (Empa)
Korea Institute of Geoscience and Mineral Resources

Research output: Contribution to journal › Journal article › peer-review

Abstract

Titanium vacancies (V_Ti), carbon vacancies (V_C), and substitutional oxygen (S_O) defects were precisely tuned in TiC and Ti₃AlC₂ MAX phases by adjusting C and Al feed ratios, yielding Ti₃C₂T_x MXenes with systematically varied defect densities. Defect minimization resulted in excellent multifunctional performance, including electrical conductivity of 26,000 S cm⁻¹, thermal conductivity of 57 W m⁻¹ K⁻¹, infrared emissivity of 0.05, EMI shielding of 90.5 dB (at 10 µm), Joule heating of 263 °C (at 1.5 V), and activation energy of 72 kJ mol⁻¹. The defect-minimized MXene exhibited excellent oxidation stability, retaining ~90% optical absorption after 4 months in dilute dispersion (0.02 mg mL⁻¹). This study establishes a comprehensive quantitative framework linking precursor-derived defect structures to electrical, thermal, optical, and environmental stability of MXenes.

Original language	English
Article number	264
Journal	Nano-Micro Letters
Volume	18
Issue number	1
DOIs	https://doi.org/10.1007/s40820-026-02106-x
State	Published - 2026.12

Keywords

Defect engineering
Defect–property correlation
MXenes
Oxidation resistance
Vacancies and substitutions defects

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10.1007/s40820-026-02106-x

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Hassan, T., Lee, D., Naqvi, S. M., Kim, M., Oh, J. M., Park, S. W., Iqbal, A., Cho, S. Y., Hao, Z., Hussain, N., Khalid, Z., Zaman, S., Kong, X., Roh, K. M., Kwon, H., & Koo, C. M. (2026). Quantitative Defect–Property Correlations in Ti₃C₂T_x MXenes via Precursor-Controlled Defect Engineering. Nano-Micro Letters, 18(1), Article 264. https://doi.org/10.1007/s40820-026-02106-x

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title = "Quantitative Defect–Property Correlations in Ti3C2Tx MXenes via Precursor-Controlled Defect Engineering",

abstract = "Titanium vacancies (VTi), carbon vacancies (VC), and substitutional oxygen (SO) defects were precisely tuned in TiC and Ti3AlC2 MAX phases by adjusting C and Al feed ratios, yielding Ti3C2Tx MXenes with systematically varied defect densities. Defect minimization resulted in excellent multifunctional performance, including electrical conductivity of 26,000 S cm−1, thermal conductivity of 57 W m−1 K−1, infrared emissivity of 0.05, EMI shielding of 90.5 dB (at 10 µm), Joule heating of 263 °C (at 1.5 V), and activation energy of 72 kJ mol−1. The defect-minimized MXene exhibited excellent oxidation stability, retaining \textasciitilde{}90\% optical absorption after 4 months in dilute dispersion (0.02 mg mL−1). This study establishes a comprehensive quantitative framework linking precursor-derived defect structures to electrical, thermal, optical, and environmental stability of MXenes.",

keywords = "Defect engineering, Defect–property correlation, MXenes, Oxidation resistance, Vacancies and substitutions defects",

author = "Tufail Hassan and Doyeon Lee and Naqvi, \{Shabbir Madad\} and Myungjae Kim and Oh, \{Jung Min\} and Park, \{Sang Woon\} and Aamir Iqbal and Cho, \{Soo Yeong\} and Zhiwang Hao and Noushad Hussain and Zubair Khalid and Shakir Zaman and Xiangmeng Kong and Roh, \{Ki Min\} and Hanjung Kwon and Koo, \{Chong Min\}",

note = "Publisher Copyright: {\textcopyright} The Author(s) 2026.",

year = "2026",

month = dec,

doi = "10.1007/s40820-026-02106-x",

language = "English",

volume = "18",

journal = "Nano-Micro Letters",

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T1 - Quantitative Defect–Property Correlations in Ti3C2Tx MXenes via Precursor-Controlled Defect Engineering

AU - Hassan, Tufail

AU - Lee, Doyeon

AU - Naqvi, Shabbir Madad

AU - Kim, Myungjae

AU - Oh, Jung Min

AU - Park, Sang Woon

AU - Iqbal, Aamir

AU - Cho, Soo Yeong

AU - Hao, Zhiwang

AU - Hussain, Noushad

AU - Khalid, Zubair

AU - Zaman, Shakir

AU - Kong, Xiangmeng

AU - Roh, Ki Min

AU - Kwon, Hanjung

AU - Koo, Chong Min

PY - 2026/12

Y1 - 2026/12

N2 - Titanium vacancies (VTi), carbon vacancies (VC), and substitutional oxygen (SO) defects were precisely tuned in TiC and Ti3AlC2 MAX phases by adjusting C and Al feed ratios, yielding Ti3C2Tx MXenes with systematically varied defect densities. Defect minimization resulted in excellent multifunctional performance, including electrical conductivity of 26,000 S cm−1, thermal conductivity of 57 W m−1 K−1, infrared emissivity of 0.05, EMI shielding of 90.5 dB (at 10 µm), Joule heating of 263 °C (at 1.5 V), and activation energy of 72 kJ mol−1. The defect-minimized MXene exhibited excellent oxidation stability, retaining ~90% optical absorption after 4 months in dilute dispersion (0.02 mg mL−1). This study establishes a comprehensive quantitative framework linking precursor-derived defect structures to electrical, thermal, optical, and environmental stability of MXenes.

AB - Titanium vacancies (VTi), carbon vacancies (VC), and substitutional oxygen (SO) defects were precisely tuned in TiC and Ti3AlC2 MAX phases by adjusting C and Al feed ratios, yielding Ti3C2Tx MXenes with systematically varied defect densities. Defect minimization resulted in excellent multifunctional performance, including electrical conductivity of 26,000 S cm−1, thermal conductivity of 57 W m−1 K−1, infrared emissivity of 0.05, EMI shielding of 90.5 dB (at 10 µm), Joule heating of 263 °C (at 1.5 V), and activation energy of 72 kJ mol−1. The defect-minimized MXene exhibited excellent oxidation stability, retaining ~90% optical absorption after 4 months in dilute dispersion (0.02 mg mL−1). This study establishes a comprehensive quantitative framework linking precursor-derived defect structures to electrical, thermal, optical, and environmental stability of MXenes.

KW - Defect engineering

KW - Defect–property correlation

KW - MXenes

KW - Oxidation resistance

KW - Vacancies and substitutions defects

UR - https://www.scopus.com/pages/publications/105031712691

U2 - 10.1007/s40820-026-02106-x

DO - 10.1007/s40820-026-02106-x

M3 - Journal article

AN - SCOPUS:105031712691

SN - 2311-6706

VL - 18

JO - Nano-Micro Letters

JF - Nano-Micro Letters

IS - 1

M1 - 264

ER -

Quantitative Defect–Property Correlations in Ti₃C₂T_x MXenes via Precursor-Controlled Defect Engineering

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