Browsing by Subject "Energy gap"
Now showing items 1-10 of 10
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Electronic properties and STM images of vacancy clusters and chains in functionalized silicene and germanene
(Elsevier B.V., 2017)Electronic properties and STM topographical images of X (=F, H, O) functionalized silicene and germanene have been investigated by introducing various kind of vacancy clusters and chain patterns in monolayers within density ... -
First principles study of 2D ring-Te and its electrical contact with a topological Dirac semimetal
(Royal Society of Chemistry, 2023-02-10)In recent years, researchers have manifested their interest in two-dimensional (2D) mono-elemental materials of group-VI elements because of their excellent optoelectronic, photovoltaic and thermoelectric properties. Despite ... -
Flexible zinc oxide photoelectrode for photo electrochemical energy conversion
(Springer, 2021-05-18)Photoelectrochemical properties have been investigated for flexible photoelectrodes containing 310�nm thick ZnO film on spin-coated ITO/PET. The high crystalline structure of ZnO was studied using x-ray diffraction pattern. ... -
Janus ?-Te2X (X = S, Se) monolayers for efficient excitonic solar cells and photocatalytic water splitting
(Royal Society of Chemistry, 2023-01-04)Highly efficient, environmentally friendly and renewable sources of energy are of great need today to combat increasing energy demands and environmental pollution. In this work, we have investigated the novel 2D allotropes, ... -
Theoretical investigation of quantum capacitance of Co-doped ?-MnO2 for supercapacitor applications using density functional theory
(Royal Society of Chemistry, 2023-09-07)The rapid depletion of fossil fuels and ever-growing energy demand have led to a search for renewable clean energy sources. The storage of renewable energy calls for immediate attention to the fabrication of efficient ... -
Titania sensitized with SPADNS dye for dye sensitized solar cell
(Springer New York LLC, 2016)Synthesis of anatase TiO2 nanoparticle with diameter about 25?nm is carried out by using chemical method and powder of TiO2 nanoparticle is pasted on fluorine doped tin oxide (FTO) coated glass by doctor blade. New organic ... -
Tunable photocatalytic water splitting and solar-to-hydrogen efficiency in ?-PdSe2monolayer
(Royal Society of Chemistry, 2021-08-18)Direct production of hydrogen from photocatalytic water splitting is a potential solution to overcome global energy crisis. Herein, based on first-principles calculations, we demonstrate that the two-dimensional ?-PdSe2 ... -
Twisted helical armchair graphene nanoribbons: mechanical and electronic properties
(Springer Science and Business Media Deutschland GmbH, 2021-05-08)Abstract: The Hydrogen and Fluorine planar armchairs graphene nanoribbons (H & F AGNRs), subjected to twist deformation within fixed periodic boundary conditions. H-AGNRs is highly elastic in nature, though passivation ... -
Two-dimensional ?-PdX2 (X = S, Te) monolayers for efficient solar energy conversion applications
(Royal Society of Chemistry, 2022-02-09)The search for highly effective and environmentally safe photocatalysts for water splitting and photovoltaic solar cells is essential for renewable solar energy conversion and storage. Based on first-principle calculations, ... -
Ultra-narrow blue phosphorene nanoribbons for tunable optoelectronics
(Royal Society of Chemistry, 2017)We report optoelectronic properties of ultra-narrow blue phosphorene nanoribbons (BPNRs) within the state-of-the-art density functional theory framework. The positive but small value of formation energy (?0.1 eV per atom) ...