Distinct impacts of metal and non-metal doping on equilibrium and nonequilibrium electronic transport of new-type 2D iodine-based devices; Materials Today Chemistry; Vol. 43

Bibliografiska uppgifter
Parent link:Materials Today Chemistry.— .— Amsterdam: Elsevier Science Publishing Company Inc.
Vol. 43.— 2025.— Article number 102522, 19 p.
Övriga upphovsmän: Liu Rukai, Jie Li, Kun Liu, Martyushev N. V. Nikita Vladimirovich
Sammanfattning:Title screen
Special 2D iodine materials show promising applications in electronics due to distinctive structures and properties. Here, we theoretically investigate the differences of effect of metal and non-metal doping on electronic transport of new-type 2D iodine-based devices. Results indicate that almost all doping could enhance electron transport. The enhancement effects induced by the metal dopants are superior to the non-metal dopants. Such effects appear more obviously in the metal dopants with smaller atomic numbers while just in the non-metal dopant with the largest atomic number. However, the two doping sites make little influence on the electron transport only for metal-doped devices, Essentially, the advantage of the metal doping stems from significantly changed distributions of electronic states and the formation of lower electrostatic potential on electron transferring channels, bringing about more efficient electron transport channels and increased device density of states (DDOS). As the voltage rises, the doped devices exhibit increased current and greater fluctuations in conductance. Interestingly, at higher biases, almost doped devices show weaker conductance and current than the undoped device, and the weakening effects of conductance would diminish with increased atomic number for all dopants. The most noticeable enhancement effect in current occurs in Device P-big at higher voltages. Besides, compared with small sites, bigger differences in conductance and current can be found between the big-site doped devices and undoped device. These findings contribute to understanding the impact of defects and elemental doping on electronic transport and provide support for applications of the novel 2D iodine in controllable electronics and sensors
Текстовый файл
AM_Agreement
Språk:engelska
Publicerad: 2025
Ämnen:
Länkar:https://doi.org/10.1016/j.mtchem.2025.102522
Materialtyp: Elektronisk Bokavsnitt
KOHA link:https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=681271

MARC

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330 |a Special 2D iodine materials show promising applications in electronics due to distinctive structures and properties. Here, we theoretically investigate the differences of effect of metal and non-metal doping on electronic transport of new-type 2D iodine-based devices. Results indicate that almost all doping could enhance electron transport. The enhancement effects induced by the metal dopants are superior to the non-metal dopants. Such effects appear more obviously in the metal dopants with smaller atomic numbers while just in the non-metal dopant with the largest atomic number. However, the two doping sites make little influence on the electron transport only for metal-doped devices, Essentially, the advantage of the metal doping stems from significantly changed distributions of electronic states and the formation of lower electrostatic potential on electron transferring channels, bringing about more efficient electron transport channels and increased device density of states (DDOS). As the voltage rises, the doped devices exhibit increased current and greater fluctuations in conductance. Interestingly, at higher biases, almost doped devices show weaker conductance and current than the undoped device, and the weakening effects of conductance would diminish with increased atomic number for all dopants. The most noticeable enhancement effect in current occurs in Device P-big at higher voltages. Besides, compared with small sites, bigger differences in conductance and current can be found between the big-site doped devices and undoped device. These findings contribute to understanding the impact of defects and elemental doping on electronic transport and provide support for applications of the novel 2D iodine in controllable electronics and sensors 
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610 1 |a Two-dimensional iodine 
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