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Surface modification effects on defect-related photoluminescence in colloidal CdS quantum dots
10.1039/C7CP07812A 2018-04-13 We investigated the effects of surface modification on the defect-related photoluminescence (PL) band in colloidal CdS quantum dots (QDs). A size-selective photoetching process and a surface modification technique with a Cd(OH)2 layer enabled the preparation ... |
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Modulation of electronic and magnetic properties in edge hydrogenated armchair phosphorene nanoribbons by transition metal adsorption
10.1039/C8CP00880A 2018-04-13 Based on first-principles calculations, we present a systematic investigation on the electronic and magnetic properties of armchair phosphorene nanoribbons (APNRs) functionalized by 3d transition metal (TM) atoms. We found that central hollow site is the most... |
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Rippling of graphitic surfaces: a comparison between few-layer graphene and HOPG
10.1039/C8CP01039K 2018-04-12 The surface structure of Few-Layer Graphene (FLG) epitaxially grown on the C-face of SiC has been investigated by TM-AFM in ambient air and upon interaction with diluted aqueous solutions of bio-organic molecules (L-Methionine and dimethyl sulfoxide, DMSO). B... |
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Electron paramagnetic resonance of copper doped [(CH3)2NH2][Zn(HCOO)3] hybrid perovskite framework
10.1039/C8CP01426D 2018-04-12 We report a continuous-wave (CW) and pulse electron paramagnetic resonance (EPR) as well as pulse electron nuclear double resonance (ENDOR) study of Cu2+ doped [(CH3)2NH2][Zn(HCOO)3] hybrid perovskite which exhibits a structural phase transition. The multifre... |
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The effect of aluminum and platinum additives on hydrogen adsorption on mesoporous silicates
10.1039/C7CP07015B 2018-04-12 Recent experimental and theoretical investigations show that functional groups and additives can have favorable impact on the hydrogen adsorption characteristics of sorbents; however, no definite evidence has been obtained to date and little is known on the e... |
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Dependence of Hot Electron Transfer on Surface Coverage and Adsorbate Species at Semiconductor-Molecule Interfaces
10.1039/C7CP07247C 2018-04-12 Developing a molecular-level understanding of how hot electron transfer process can be enhanced at semiconductor-molecule interfaces is central to advancing various future technologies. Using first-principles quantum dynamics simulations, we investigate how s... |
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Insight into the mechanism of methanol assistance with syngas conversion over partially hydroxylated γ-Al2O3 (110D) surface in slurry bed
10.1039/C8CP02000K 2018-04-12 Despite numerous studies devoted to the various properties of γ-Al2O3, the explorations of its catalytic activity remains scarce. In this work, density functional theory calculations are performed to study the elementary adsorption and reaction mechanisms for... |
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Photo-induced linkage isomerization in the gas phase probed by tandem ion mobility and laser spectroscopy
10.1039/C8CP01833B 2018-04-12 Ruthenium complexes involving sulfoxide ligands can undergo linkage isomerization upon light absorption, accompanied by dramatic changes in their optical properties. These remarkable photochromic properties are sensitive to the nature of the ligand as well as... |
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Eliminating Common Biases in Modelling Electrical Conductivity of Carbon Nanotubes-Polymer Nanocomposites
10.1039/C8CP01715H 2018-04-12 Modelling carbon nanotube-polymer nanocomposites to predict their electrical conductivity demands high computational power. Past research usually assumed the conductive network follow a periodic pattern; however, the impacts of the underlying biases had never... |
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Mobilities of iodide anions in aqueous solutions for applications in natural dye-sensitized solar cells
10.1039/C8CP01155A 2018-04-12 Dye-sensitized solar cells (DSSCs) composed of aqueous electrolytes represent an environmentally friendly, low-cost, and concrete alternative to standard DSSCs and to typical solar cells. Notwithstanding flammable and toxic organic-solvent-based electrolytes ... |