A field effect transistor (FET) measurement of a single-walled carbon nanotube (SWNT) shows a transition from a metallic one to a p-type semiconductor after helical wrapping of DNA. Water is found to be critical to activate this metal-semiconductor transition in the ssDNA-SWNT hybrid. Raman spectroscopy confirms the same change in electrical behaviors. According to our ab initio calculations, a band gap can open up in a metallic SWNT with wrapped ssDNA in the presence of water molecules due to charge transfer.
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http://dx.doi.org/10.1021/nl8029948 | DOI Listing |
Phys Chem Chem Phys
January 2025
Jiangxi Provincial Key Laboratory of Advanced Electronic Materials and Devices, Jiangxi Science & Technology Normal University, Nanchang 330018, China.
Owing to their high light absorption coefficient, excellent electronic mobility, and enhanced excitonic effect, two-dimensional (2D) GaN materials hold great potential for applications in optoelectronic and electronic devices. As the metal-semiconductor junction (MSJ) is a fundamental component of semiconductor-based devices, identifying a suitable metal for contacting semiconductors is essential. In this work, detailed first-principles calculations were performed to investigate the contact behavior between the GaN monolayer (ML) and a series of 2D metals MX (M = Nb, Ta, V, Mo, or W; X = S or Se).
View Article and Find Full Text PDFJ Phys Chem Lett
January 2025
Physical Science and Engineering Division, King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900, Saudi Arabia.
Materials exhibiting both metallic and semiconducting states, including two-dimensional transition metal dichalcogenides (TMDs), have numerous applications. We therefore investigate the effects of axial and shear strains on the phase energetics of pristine and striped TMDs using density functional theory and classical molecular dynamics simulations. We demonstrate that control of the phase distribution can be achieved by the integration of strain engineering and Kirigami techniques.
View Article and Find Full Text PDFPhys Chem Chem Phys
January 2025
Department of Energy and Refrigerating Air-Conditioning Engineering, National Kaohsiung University of Science and Technology, Kaohsiung, Taiwan.
This study employs first-principles calculations to investigate the geometric and electronic properties of hydrogenated silicon nanotubes (SiNTs). SiNTs, particularly in their gear-like configuration, demonstrate unique semiconducting behavior; however, their relatively small intrinsic band gaps limit their applicability in fields requiring moderate band gaps. Significant changes in electronic properties are observed by hydrogenating SiNTs at various levels of adsorption-either full or partial-and different surface configurations (exterior, interior, or dual-sided).
View Article and Find Full Text PDFNano Lett
January 2025
Department of Applied Physical Sciences, University of North Carolina, Chapel Hill, North Carolina 27514, United States.
Two-dimensional (2D) transition metals enable the elimination of metal-induced gap states and Fermi-level pinning in field-effect transistors (FETs), offering an advantage over conventional metal contacts. However, transition metal substrates typically exhibit nonoriented behaviors, leading to the inability to achieve monolingual responses with P- or N-type semiconductors. Here we devise symmetry engineering in an oxidized architectural MXene, termed OXene, which implements the exploiting and coupling of additional out-of-plane electron conduction and built-in polar structures.
View Article and Find Full Text PDFAnal Chem
January 2025
Phenikaa University Nano Institute (PHENA), Phenikaa University, Hanoi 12116, Vietnam.
Surface-enhanced Raman spectroscopy (SERS) is a powerful analytical technique, yet it faces challenges with certain probe molecules exhibiting weak or inactive signals, limiting their applicability. In a recent study, we investigated this phenomenon using a set of four probe molecules─chloramphenicol (CAP), 4-nitrophenol (4-NP), amoxicillin (AMX), and furazolidone (FZD)─deposited on Ag-based nanostructured SERS substrates. Despite being measured under identical conditions, CAP and 4-NP exhibited SERS activity, while AMX and FZD did not.
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