High yields of single-crystalline silicon nanowires and germanium/silicon oxide core-shell nanostructures were synthesized using a supercritical fluid-solid-solid growth mechanism. The formation of the one-dimensional ...
The synthesis of two asymmetric dinuclear complexes with the formula [M(bpy)2(bpt)Ru(tpy)Cl]2+, where M = Ru (1a), Os(2a); bpy = 2,2’-bipyridyl; Hbpt = 3,5-bis(pyridin-2-yl)1,2,4-triazole and tpy = 2,2’,6’,2”-terpyridine, ...
The large intrinsic band gap in TiO2 has hindered severely its potential application for visible-light irradiation. In this study, we have used a passivated approach to modify the band edges of anatase-TiO2 by codoping of ...
The large intrinsic band gap of NiO has hindered severely its potential application under visible-light irradiation. In this study, we have performed first-principles calculations on the electronic properties of N- and ...
At present there is a global concern of environmental issues and future energy supplies, for instance global warming and the rapid depletion of fossil fuels. This trepidation has initiated a more critical investigation ...
Nickel oxide (NiOx) due to its p-type nature has considerable potential as a photocathodic
material in energy conversion devices such as dye-sensitized solar cells (DSSCs). However,NiOx has not been extensively used for ...
The structural and electronic properties of rutile and anatase, and the influence of both mono- and co-doping, have been studied using Density Functional Theory. Ge-doped anatase and rutile exhibit different band gap-narrowing ...
The origin of the experimentally observed band gap narrowing and red-shift of the adsorption edge of cubic In2O3 induced by C doping has been investigated using density functional theory calculations. We have compared the ...
The energetic and electronic structures of V-doped anatase TiO2 have been investigated systematically by the GGA+U approach, including replacement of Ti by V in the absence and presence of oxygen vacancies and the presence ...
Gold tip size and multiplicity is controlled in hybrid gold-semiconductor nanorods (CdS-Au, CdSe-Au and CdTe-Au) in fast reaction times of less than 2 minutes by optimising precursor type, concentration, and temperature. ...
The energetic and electronic properties of F and/or Zr-doped anatase TiO2 are investigated by first-principles calculations. For F-doping, reduced Ti3+ ions are formed and Ti orbitals lie slightly below the conduction band, ...
In this contribution a range of photo induced ligand rearrangements observed for first and second row transition metal and organometallic compounds are discussed. The processes discussed include photoinduced ligand exchange, ...
This paper investigates the thermodynamics of gas-phase CO2 cascade uptake-reactions in the form of carbonate or methoxycarbonate anions in the host cavity of various dinuclear octa-azacryptates of m-CH2C6H4CH2 and ...
Hematite nanorod arrays were activated through proper control of annealing conditions. The 100-fold improvement in photocurrent was correlated with increased absorption and Sn doping from the tin oxide
coated glass ...
We have carried out classical molecular dynamics of various surfaces of TiO2 with its interface with water. We report the geometrical features of the first and second monolayers of water using a Matsui Akaogi (MA) force ...
We have carried out classical molecular dynamics of various surfaces of TiO2 with its interface with water. We report the geometrical features of the first and second monolayers of water using a Matsui Akaogi (MA) force ...
The catalytic water oxidation activity of mononuclear ruthenium complexes comprising a pyridine-functionalized abnormal triazolylidene ligand can be adjusted by modification of the triazolylidene substituents, which is ...
Using Time-Dependent Density Functional Theory (TD-DFT), we have investigated the optical properties of dye-sensitized solar cells (DSSCs) comprised of TiO2 nanoparticle sensitized with two coumarins, namely, NKX-2311 and ...
In today’s society there is a vast and in many cases not fully appreciated dependence on electrical power for everyday life. Furthermore, with growing energy and environmental concerns arising due to fossil fuel depletion ...