Тип публикации: статья из журнала
Год издания: 2020
Идентификатор DOI: 10.1039/d0cp01545h
Аннотация: One dimensional Ta-2(Pd/Pt)(3)(S/Se)(8)nanoribbons (TPS-NR) are considered as a promising material in nanoelectronics due to their intrinsic semiconducting electronic properties. In this article, we study the stability of TPS-NR by considering their oxidation process. Our calculations showed that the Ta-2(Pd/Pt)(3)Se(8)nanoribbons Показать полностьюare more environmentally stable than Ta-2(Pd/Pt)(3)S-8-NR. We studied the thermodynamics of the formation of monovacancies and their impact on the electronic properties of TPS-NR. Additionally, the sensing properties of environmentally stable Ta(2)Pd(3)Se(8)nanoribbons were investigated. The observed changes of the electronic structure and transport properties after the adsorption of CO, NH(3)and NO(2)molecules reveal the mechanisms of possible application of Ta(2)Pd(3)Se(8)nanoribbons as a gas sensor. The electronic transport properties of the nanoribbons exhibit a notable response to the presence of gas molecules.
Журнал: PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Выпуск журнала: Vol. 22, Is. 26
Номера страниц: 14651-14659
ISSN журнала: 14639076
Место издания: CAMBRIDGE
Издатель: ROYAL SOC CHEMISTRY