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Properties of Si nanostructural modification on Si (111) surface
Institution:1. Institute of Theoretical Chemistry, Jilin University, Changchun, Jilin 130021, China;2. School of Data Science and Software Engineering, Qingdao University, Qingdao, Shandong 266071, China;3. College of Physics, Qingdao University, Qingdao, Shandong 266071, China;4. National Taiwan Science Education Center, Taipei 11165, Taiwan;5. Department of Electro-Optical Engineering, National Taipei University of Technology, Taipei 10608, Taiwan;6. National Applied Research Laboratories, Taiwan Semiconductor Research Institute, Hsinchu 30078, Taiwan;1. Department of Chemistry, Indian Institute of Science Education and Research, Pune 411008, India;2. Department of Physics, Indian Institute of Science Education and Research, Pune 411008, India;1. Department of Physics, Sri Chanderasekarendra Viswa mahavidhyalaya, Tamil Nadu 631561, India;2. Department of Physics, Ambedkar Government College, Tamil Nadu 600039, India;3. Department of Chemistry, Sri Chanderasekarendra Viswa mahavidhyalaya, Tamil Nadu 631561, India;4. Department of Physics, Academy of Maritime Education and Training, Tamil Nadu 603112, India
Abstract:Si nanostructures (Si-NSs) epitaxially grown or adsorbed on Si (111) surface, with various shapes including pit-like, bars, islands, hill-like, diamond-like and double cage, were studied theoretically using density-functional theory (DFT) calculations. The electronic and optical properties of these Si-NSs were calculated, showing that the designed Si-NSs modifications can enhance the optical absorption for Si surface.
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