Silicene-supported TiO2 nanostructures: a theoretical study of electronic and optical properties
Literature Information
Yesukhei Jagvaral, Qing Guo, Haiying He, Ravindra Pandey
Titania (TiO2) is a material of choice for energy-related applications, such as photovoltaics and photocatalysis. The presence of a large band gap and fast electron–hole recombination occurring in the lattice significantly reduce the material's quantum efficiency, and therefore limit industrial-scale applications. In this article, we investigate whether silicene can be a viable substrate for TiO2 nanostructures in photocatalytic applications. Calculations based on density functional theory find a strong electronic coupling between silicene and oxide nanostructures. Electron transfer from silicene to the nanostructures results in the production of active photoreduction sites involving Ti3+ ions in the system. The hybrid TiO2/silicene system also exhibits modification of optical characteristics with the capability of absorbing light in the visible range and spatially separating charges, thus displaying superior photocatalytic activity relative to pristine TiO2 for energy-related applications.
Recommended Journals

Crystallography Reports

Journal of Natural Medicines

Russian Journal of Bioorganic Chemistry

Chemistry Education Research and Practice

Acta Materialia

Organic Process Research & Development

Current Opinion in Colloid & Interface Science

Russian Journal of General Chemistry

Journal of Peptide Science

Current Opinion in Solid State & Materials Science
Related Literature
Synthesis and volume phase transition of concanavalin A-based glucose-responsive nanogels
Ting Ye, Suting Yan, Yumei Hu, Li Ding, Weitai Wu
DOI: 10.1039/C3PY00778B
One-pot synthesis of responsive sulfobetaine nanoparticles by RAFT polymerisation: the effect of branching on the UCST cloud point
Helen Willcock, Annhelen Lu, Claire F. Hansell, Emma Chapman, Ian R. Collins, Rachel K. O'Reilly
DOI: 10.1039/C3PY00998J
A comparative study of polymers containing naphthodifuranone and benzodifuranone units in the main chain
Haichang Zhang, Jun Zhang, Bernd Tieke
DOI: 10.1039/C3PY01101A
Effect of chemically modified graphene oxide on the phase separation behaviour and properties of an epoxy/polyetherimide binary system
Guijun Yu, Peiyi Wu
DOI: 10.1039/C3PY00878A
Synergistic effects of hydrophobicity and gas barrier properties on the anticorrosion property of PMMA nanocomposite coatings embedded with graphene nanosheets
Kung-Chin Chang, Wei-Fu Ji, Mei-Chun Lai, You-Rong Hsiao, Chien-Hua Hsu, Tsao-Li Chuang, Yen Wei, Jui-Ming Yeh, Wei-Ren Liu
DOI: 10.1039/C3PY01178J
Binding and supramolecular organization of homo- and heterotelechelic oligomers in solutions
Jessalyn Cortese, Corinne Soulié-Ziakovic, Ludwik Leibler
DOI: 10.1039/C3PY00638G
Post-metalation of porous aromatic frameworks for highly efficient carbon capture from CO2 + N2 and CH4 + N2 mixtures
Heping Ma, Hao Ren, Xiaoqin Zou, Shuang Meng, Fuxing Sun
DOI: 10.1039/C3PY00647F
Synthesis and photovoltaic properties of a low bandgap BODIPY–Pt conjugated polymer
Wenhan He, Yingbing Jiang, Yang Qin
DOI: 10.1039/C3PY01396K
Synthesis and optoelectronic properties of new D–A copolymers based on fluorinated benzothiadiazole and benzoselenadiazole
Yi Zhang
DOI: 10.1039/C3PY00968H
You might also like
What are the main uses of 4-Nitrophenyl phosphate disodium salt hexahydrate (CAS: 333338-18-4)?
4-Nitrophenyl phosphate disodium salt hexahydrate is primarily used as a substra...
What are the main uses of 2-(Trifluoromethyl)-1,3-oxazole-4-carboxylic Acid (CAS: 1060816-01-4)?
2-(Trifluoromethyl)-1,3-oxazole-4-carboxylic Acid (CAS: 1060816-01-4) is widely ...
How should 2-Fluoro-4-biphenylcarboxylic acid (CAS: 137045-30-8) be stored?
2-Fluoro-4-biphenylcarboxylic acid should be stored in a cool, dry place at room...
What industries use Prednisolone-21-Carboxylic Acid (CAS: 61549-70-0)?
Prednisolone-21-Carboxylic Acid is primarily used in the pharmaceutical industry...
How should 4-(Hydrazinomethyl)-1,2,3-benzenetriol (CAS: 3614-72-0) be stored?
4-(Hydrazinomethyl)-1,2,3-benzenetriol (CAS: 3614-72-0) should be stored in a co...
What industries use 4-Amino-1-methyl-1H-pyrazole-5-carboxylic acid hydrochloride (CAS: 92534-70-8)?
4-Amino-1-methyl-1H-pyrazole-5-carboxylic acid hydrochloride (CAS: 92534-70-8) i...
What regulatory guidelines apply to dehydropachymic acid (CAS: 77012-31-8)?
Dehydropachymic acid (CAS: 77012-31-8) is regulated by various agencies. It fall...
What is the market or research trend for 6-[(2,2-Dimethylpropanoyl)amino]nicotinic acid (CAS: 898561-66-5)?
The market and research trends for 6-[(2,2-Dimethylpropanoyl)amino]nicotinic aci...
How should 1,10-Phenanthroline-2,9-dicarbaldehyde (CAS: 57709-62-3) be stored?
1,10-Phenanthroline-2,9-dicarbaldehyde should be stored in a cool, dry place awa...
How is 5-Carbamoyl-11-oxo-10,11-dihydro-5H-dibenzo[b,f]azepin-10-yl acetate (CAS: 113952-21-9) typically synthesized?
5-Carbamoyl-11-oxo-10,11-dihydro-5H-dibenzo[b,f]azepin-10-yl acetate can be synt...
Source Journal
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

![1-[(4-Methylphenyl)sulfonyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile structure 1-[(4-Methylphenyl)sulfonyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile structure](https://static.chemtradehub.com/structs/143/1434747-57-5-fc0d.webp)

![S-[2,3-Bis(palmitoyloxy)propyl]-N-[(9H-fluoren-9-ylmethoxy)(hydroxy)methylene]cysteine structure S-[2,3-Bis(palmitoyloxy)propyl]-N-[(9H-fluoren-9-ylmethoxy)(hydroxy)methylene]cysteine structure](https://static.chemtradehub.com/structs/210/210532-98-2-f6a7.webp)
