New-type 2D iodine materials with tunable electronic transport impacted by the doping of nonmetal elements

CERAMICS INTERNATIONAL(2024)

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摘要
Special structures and good characteristics make 2D iodine structures more appealing and valuable at high pressures. The electrical transport of such 2D iodine structures is theoretically studied here, taking the doping of nonmetal elements into account. Most doped devices show considerably greater equilibrium conductance than the original device. Devices with the dopants in lower atomic numbers show higher conductance. The transmission spectrum all around EF can be improved by the doping of nonmetal elements. Essentially, DDOS can well explain the variations in electron transmission probability caused by the doping of nonmetal atom for most doped devices, serving as one main inherent factor in electron transport. The influence of nonmetal dopants on transmission eigenstates varies according to the main group, essentially depending on the number of transferring channels and the strength of transmission eigenstates. Influenced by the bias, the conductance of such innovative devices fluctuates but with varied amplitudes. Every doping mode can enhance the conductance by applying the bias and such biases for all doping modes must cover lower biases. Unlike the dopants in larger atomic numbers, the devices with the dopants in smaller atomic numbers show much difference in size between the voltage interval that enhances and the voltage interval that weakens. The current grows linearly with bias. Nonmetal doping enables the current to increase at low voltages and decrease at high voltages, compared with the undoped device. The improved and attenuated effect on the current is good for doped devices with nonmetal elements in smaller atomic numbers, but poor in higher atomic numbers. These discoveries contribute significantly to our understanding of the effects of defects and elemental adsorption on electrical characteristics and give strong evidence for the use of new-type 2D iodine materials in controlled electronics and sensors.
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关键词
New -type 2D iodine materials,Electron transport,Doping of non-metal elements,Applying the bias,First principles
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