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Atomic oxygen adsorption on the Mo(112) surface has been investigated by means of first-principles total energy calculations. Among the variety of possible adsorption sites it was found that the bridge sites between two Mo atoms of the…

材料科学 · 物理学 2007-05-23 Adam Kiejna , R. M. Nieminen

A detailed reexamination of the (110) surface structure of rutile TiO2 has been carried out using first-principles total-energy methods. This investigation is in response to a recent high-precision LEED-IV measurement revealing certain…

材料科学 · 物理学 2009-11-11 Scott J. Thompson , Steven P. Lewis

The surface structure of SrTiO3(001) thin films homoepitaxially grown by PLD in step-flow mode was characterized using low temperature STM. It was found that one-dimensional (1D) TiOx-based nanostructures were formed on the thin film…

材料科学 · 物理学 2015-05-18 Katsuya Iwaya , Takeo Ohsawa , Ryota Shimizu , Tomihiro Hashizume , Taro Hitosugi

Dye Sensitized Solar Cells (DSSCs) have recently regained attention for indoor light harvesting and powering wireless devices. Advantages such as cost-effectiveness, flexibility, wide angular response, and lightweight design have driven the…

A first-principles atomic orbital-based electronic structure method is used to investigate the low index surfaces of rutile Titanium Dioxide. The method is relatively cheap in computational terms, making it attractive for the study of oxide…

材料科学 · 物理学 2009-10-28 O. Gulseren , R. James , D. W. Bullett

TiO$_2$ and SrTiO$_3$ are well known materials in the field of photocatalysis due to their exceptional electronic structure, high chemical stability, non-toxicity and low cost. However, owing to the wide band gap, these can be utilized only…

材料科学 · 物理学 2020-09-25 Manish Kumar , Pooja Basera , Shikha Saini , Saswata Bhattacharya

We present the GGA+U calculations to investigate the electronic structure and visible light absorption of the N, B-codoped anatase TiO2. The NsBi (substitutional N, interstitial B) codoped TiO2 produces significant Ti 3d and N 2p mid-gap…

材料科学 · 物理学 2015-08-10 Meili Guo , Xiao-Dong Zhang , Jiulin Du

The absorption performance in the BiFeO$_3$/TiO$_2$ bilayer film prepared by simple sol-gel method has been significantly improved in the ultraviolet and visible-light region, comparing with BiFeO$_3$ and TiO$_2$ films. Terahertz-radiation…

材料科学 · 物理学 2015-02-03 Hong-Jian Feng , Bi Duan , Jinshou Tian , Xiaohui Guo

Colloidal zinc oxide (ZnO) nanoparticles are frequently used in the field of organic photovoltaics for the realization of solution-producible, electron-selective interfacial layers. Despite of the widespread use, there is a lack of detailed…

应用物理 · 物理学 2019-04-25 Sebastian Wilken , Jürgen Parisi , Holger Borchert

Hybridisation is a powerful strategy towards the next generation of multifunctional materials for environmental and sustainable energy applications. Here, we report a new inorganic nanocarbon hybrid material prepared with atomically…

材料科学 · 物理学 2019-02-13 A. Moya , N. Kemnade , M. R. Osorio , A. Cherevan , D. Granados , D. Eder , J. J. Vilatela

Black TiO2 nanoparticles with a crystalline-core and amorphous-shell structure exhibit superior optoelectronic properties in comparison with pristine TiO2. The fundamental mechanisms underlying these enhancements, however, remain unclear,…

All-inorganic CsPbBr3 perovskite colloidal quantum dots have recently emerged as promising material for a variety of optoelectronic applications, among others for multi-photon-pumped lasing. Nevertheless, high irradiance levels are…

TiO2 with super narrow bandgap (1.1 eV~) are successfully synthesized via a facile and novel one-step single-mode magnetic microwave induced plasma treatment. The selectively surface Ti3+-doping on obtained TiO2 as trapping centers which…

应用物理 · 物理学 2022-02-04 Kunihiko Kato , Yunzi Xin , Takashi Shirai

Nanorods (NRs) of crystalline ZnO coated with thin layers of TiO$_2$(ZnO@TiO$_2$) were fabricated with the help of the spin coating technique followed by the hydrothermal method. Scanning electron microscopy (SEM) and X-ray diffraction…

应用物理 · 物理学 2023-01-03 Shashi Pandey , Alok Shukla , Anurag Tripathi

Using an organometallic precursor, TiO$_2$ coatings were fabricated on surfaces of quartz, zircon and rutile sands. X ray Diffraction, X ray Fluorescence, UV Vis spectroscopy and surface area measurement were used to characterise support…

材料科学 · 物理学 2021-06-08 Dorian A. H. Hanaor , Charles C. Sorrell

Au nanoparticles at the TiO$_2$ surface can enhance the photocatalytic H$_2$ generation performances owing to their electron transfer co-catalytic ability. Key to maximize the co-catalytic effect is a fine control over Au nanoparticle size…

应用物理 · 物理学 2020-06-05 Seyedsina Hejazi , Marco Altomare , Shiva Mohajernia , Patrik Schmuki

Photonic crystal nanocavities are used to enhance photoluminescence from single-walled carbon nanotubes. Micelle-encapsulated nanotubes are deposited on nanocavities within Si photonic crystal slabs and confocal microscopy is used to…

介观与纳米尺度物理 · 物理学 2012-10-12 R. Watahiki , T. Shimada , P. Zhao , S. Chiashi , S. Iwamoto , Y. Arakawa , S. Maruyama , Y. K. Kato

We discuss regular particle arrays as nanostructured front layers for 3rd generation photovoltaic devices. A rigorous plane-wave method is used to investigate multi-type particle layers combining different radii and configurations. The…

光学 · 物理学 2016-09-27 Christin David

Wide-gap Cu(In,Ga)S2 solar cells with In2O3:Sn (ITO) as transparent back contact are evaluated for the application as top cells in tandem devices. The effect of Na on the solar cell performance is investigated by supplying additional Na by…

Topological insulator films are promising materials for optoelectronics due to a strong optical absorption and a thickness dependent band gap of the topological surface states. They are superior candidates for photodetector applications in…

介观与纳米尺度物理 · 物理学 2018-09-11 Mathias Rosdahl Brems , Jens Paaske , Anders Mathias Lunde , Morten Willatzen