Jhon, Y. I. Seo, M. Jhon, Y. M. 2024-01-19T23:33:18Z 2024-01-19T23:33:18Z 2022-01-11 2018-01-07 2040-3364 https://pubs.kist.re.kr/handle/201004/121814 2D transition metal carbides, nitrides, and carbonitrides called MXenes have attracted increasing attention due to their outstanding properties in many fields. By performing systematic density functional theory calculations, here we show that MXenes can serve as excellent terahertz detecting materials. Giant optical absorption and extinction coefficients are observed in the terahertz range in the most popular MXene, namely, Ti3C2, which is regardless of the stacking degree. Various other optical properties have been investigated as well in the terahertz range for in-depth understanding of its optical response. We find that the thermoelectric figure of merit (ZT) of stacked Ti3C2 flakes is comparable to that of carbon nanotube films. Based on excellent terahertz absorption and decent thermoelectric efficiency in MXenes, we finally suggest the promise of MXenes in terahertz detection applications, which includes terahertz bolometers and photothermoelectric detectors. Possible ZT improvements are discussed in large-scale MXene flake films and/or MXene-polymer composite films. English ROYAL SOC CHEMISTRY TRANSITION-METAL CARBIDES PLASMON RESONANCES TITANIUM CARBIDE TI3C2 NANOCRYSTALS DELAMINATION PERFORMANCE ADSORPTION First-principles study of a MXene terahertz detector Article 10.1039/c7nr05351g 1 NANOSCALE, v.10, no.1, pp.69 - 75 NANOSCALE 10 1 69 75 scie scopus 000418621000003 2-s2.0-85039156647 Chemistry, Multidisciplinary Nanoscience & Nanotechnology Materials Science, Multidisciplinary Physics, Applied Chemistry Science & Technology - Other Topics Materials Science Physics Article TRANSITION-METAL CARBIDES PLASMON RESONANCES TITANIUM CARBIDE TI3C2 NANOCRYSTALS DELAMINATION PERFORMANCE ADSORPTION