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Updated: Jul 8, 2025

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
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对2D GeI2/InTe范德瓦尔斯异质双层作为光催化剂材料的研究

S J Khengar1, P R Parmar1, Nidhi Modi2

  • 1Department of Physics, Veer Narmad South Gujarat University, Surat-395007, Gujarat, India.

Nanotechnology
|December 11, 2023
PubMed
概括

这项研究以计算方式研究范德瓦尔斯异构体GeI2/InTe. 该材料具有II型间接带间隙,使其成为光电子设备和光催化剂在广泛的pH范围内的有希望的候选者.

关键词:
充电载体的移动性 充电载体的移动性密度函数理论密度函数理论它具有光电子特性.光催化作用的光催化作用vdW 异质二层层

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The absorption of UV–visible light by conjugated systems causes the promotion of an electron from the ground state to the excited state. Consequently, photochemical electrocyclic reactions proceed via the excited-state HOMO rather than the ground-state HOMO. Since the ground- and excited-state HOMOs have different symmetries, the stereochemical outcome of electrocyclic reactions depends on the mode of activation; i.e., thermal or photochemical.
Selection Rules: Photochemical Activation
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