Nanowires have unique optical properties and are considered as important building blocks for energy harvesting applications such as solar cells. However, due to their large surface-to …
Surface states in semiconductor nanowires (NWs) are detrimental to the NW optical and electronic properties and to their light emission-based applications, due to the large surface …
Many bottom-up and top-down techniques for nanomaterial and nanostructure generation have enabled the development of applications in nanoelectronics and nanophotonics …
CL Dos Santos, P Piquini - Physical Review B—Condensed Matter and …, 2010 - APS
Semiconductor nanowires (NWs) have ideal morphologies to act as active parts and connections in nanodevices since they naturally restrict the conduction channels and …
We employ first-principles calculations to investigate the structural stability and electronic properties of zinc oxide (ZnO) nanowires adsorbed with different chemical functional groups …
AT John, S Wei, JA Yuwono, P Kumar… - Applied Physics …, 2023 - pubs.aip.org
Chemiresistive sensing of gas molecules has been widely investigated for application in medical diagnostics and environmental monitoring, showing high sensitivity and low limits of …
We perform density-functional theory calculations on model surfaces to investigate the interplay between the morphology, electronic structure, and chemistry of oxygen-and …
S Caliskan, F Hazar - Superlattices and Microstructures, 2015 - Elsevier
In the present study, first principles calculations were carried out to reveal the spin unrestricted electronic structure behavior of both pure and transition metal (TM) atom (V and …
D Li, Z Wang, F Gao - Nanotechnology, 2010 - iopscience.iop.org
The electronic properties of zinc-blende, wurtzite, and rotationally twinned InP nanowires were studied using first-principles calculations. The results show that all the simulated …