DNA sequencing techniques are critical in order to investigate genes' functions. Obtaining fast, accurate, and affordable DNA bases detection makes it possible to acquire personalized medicine. In this article, a semi-empirical technique is used to calculate the electron transport characteristics of the developed z-shaped graphene device to detect the DNA bases. The z-shaped transistor consists of a pair of zigzag graphene nanoribbon (ZGNR) connected through an armchair graphene nanoribbon (AGNR) channel with a nanopore where the DNA nucleobases are positioned. Non-equilibrium Green's function (NEGF) integrated with semi-empirical methodologies are employed to analyze the different electronic transport characteristics. The semi-empirical approach applied is an extension of the extended Hückel (EH) method integrated with self-consistent (SC) Hartree potential. By employing the NEGF+SC-EH, it is proved that each one of the four DNA nucleobases positioned within the nanopore, with the hydrogen passivated edge carbon atoms, results in a unique electrical signature. Both electrical current signal and transmission spectrum measurements of DNA nucleobases inside the device's pore are studied for the different bases with modification of their orientation and lateral translation. Moreover, the electronic noise effect of various factors is studied. The sensor sensitivity is improved by using nitrogen instead of hydrogen to passivate the nanopore and by adding a dual gate to surround the central semiconducting channel of the z-shaped graphene nanoribbon.
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http://dx.doi.org/10.1109/TNB.2021.3077364 | DOI Listing |
Doping strategies have been recognized as effective approaches for developing cost-effective and durable catalysts with enhanced reactivity and selectivity in the electrochemical synthesis of value-added compounds directly from CO. However, the reaction mechanism and the specific roles of heteroatom doping, such as N doping, in advancing the CO reduction reaction are still controversial due to the lack of precise control of catalyst surface microenvironments. In this study, we investigated the effects of N doping on the performances for electrochemically converting CO to CO over Ni@NCNT/graphene hybrid structured catalysts (Ni@NCNT/Gr).
View Article and Find Full Text PDFACS Appl Mater Interfaces
January 2025
Departament de Ciència de Materials i Química Física & Institut de Química Teòrica i Computacional (IQTCUB), Universitat de Barcelona, c/Martí i Franquès 1-11, Barcelona 08028, Spain.
The interaction between molybdenum carbide (MoC) nanoparticles and both flat and curved graphene surfaces, serving as models for carbon nanotubes, was investigated by means of density functional theory. A variety of MoC nanoparticles with different sizes and stoichiometries have been used to explore different adsorption sites and modes across models with different curvature degrees. On flat graphene, off-stoichiometric MoC featuring more low-coordinated Mo atoms exhibits stronger interaction and increased electron transfers from the carbide to the carbon substrate.
View Article and Find Full Text PDFNanoscale
January 2025
Physics Department E20, School of Natural Sciences, Technical University of Munich, Garching, 85748, Germany.
-Armchair graphene nanoribbons (nAGNRs) are promising components for next-generation nanoelectronics due to their controllable band gap, which depends on their width and edge structure. Using non-metal surfaces for fabricating nAGNRs gives access to reliable information on their electronic properties. We investigated the influence of light and iron adatoms on the debromination of 4,4''-dibromo--terphenyl precursors affording poly(-phenylene) (PPP as the narrowest GNR) wires through the Ullmann coupling reaction on a rutile TiO(110) surface, which we studied by scanning tunneling microscopy and X-ray photoemission spectroscopy.
View Article and Find Full Text PDFNat Commun
January 2025
Faculty of Physics, Astronomy and Applied Computer Science, Jagiellonian University, PL 30-348, Krakow, Poland.
Atomically precise synthesis of graphene nanostructures on semiconductors and insulators has been a formidable challenge. In particular, the metallic substrates needed to catalyze cyclodehydrogenative planarization reactions limit subsequent applications that exploit the electronic and/or magnetic structure of graphene derivatives. Here, we introduce a protocol in which an on-surface reaction is initiated and carried out regardless of the substrate type.
View Article and Find Full Text PDFiScience
January 2025
School of Civil Engineering and Architecture, Zhejiang University of Science & Technology, Hangzhou, P.R. China.
A possibility of unprecedented architecture may be opened up by combining both vertical and in-plane heterostructures. It is fascinating to discover that the interlayer stress transfer, interlayer binding energy, and interlayer shear stress of bi-layer Gr/hBN with CNTs heterostructures greatly increase (more than 2 times) with increase the numbers of CNTs and both saturate at the numbers of CNTs = 3, but it causes only 10.92% decrease in failure strain.
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