Influence of Molecular Adsorption on the Electronic Transport Properties of 2D Iodinene with Sensing Potential; Inorganic Chemistry; Vol. 65, iss. 7

Influence of Molecular Adsorption on the Electronic Transport Properties of 2D Iodinene with Sensing Potential; Inorganic Chemistry; Vol. 65, iss. 7

Bibliographic Details
Parent link:Inorganic Chemistry.— .— Washington: ACS Publications
Vol. 65, iss. 7.— 2026.— P. 3790–3805
Other Authors: Rukai Liu, Jie Li, Kun Liu, Martyushev N. V. Nikita Vladimirovich
Summary:Title screen
Driven by the demand for next-generation gas sensors, this study systematically investigates the impact of molecular adsorption on electronic transport of 2D iodinene-based devices. In equilibrium, adsorption of small molecules has little effect on electron transmission in positive energies but causes suppressed electron transport in negative energies, essentially determined by the relative strength of local electronic rearrangement and adsorption-induced structural relaxation. When in non-equilibrium (the bias exceeds the turn-on voltage of about 1.07 V), Formaldehyde produces the most significant gain of current. At the turn-on voltage, the amplitude of electron transmission is markedly enhanced while the peak position remains stable, indicating that the adsorption amplifies transmission through primary channels and does not introduce adverse level misalignment. In comparison, the enhancement effect on current of methane and CO2-1 is weaker, displaying 0.04 eV shifts and amplitude gains in electron transmission spectrum at peak biases, indicating partial activation of resonant channels and improved level alignment. Differently, CO2-2 and especially toluene would attenuate current. Benzene causes minor electronic rearrangement and limited current adjustment. These findings furnish a theoretical foundation for the rational design of highly selective and sensitive gas sensors applicable to environmental monitoring and industrial safety
Текстовый файл
AM_Agreement
Language:English
Published: 2026
Subjects:
электронный ресурс
труды учёных ТПУ
molecular adsorption
hydrocarbons
Online Access:https://doi.org/10.1021/acs.inorgchem.5c03850
Format: Electronic Book Chapter
KOHA link:https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=686500

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