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The enhanced photocatalytic performance of doped graphene(GR)/semiconductor nanocomposites have recently been widely observed, but an understanding of the underlying mechanisms behind it is still out of reach. As a model system to study the…

Computational Physics · Physics 2015-10-29 Chao-Ni He , Wei-Qing Huang , Liang Xu , Yin-Cai Yang , Bing-Xin Zhou , Gui-Fang Huang , P. Peng , Wu-Ming Liu

Thermoelectric materials are opening a promising pathway to address energy conversion issues governed by a competition between thermal and electronic transport. Improving the efficiency is a difficult task, a challenge that requires new…

Materials Science · Physics 2017-09-13 G. Bouzerar , S. Thébaud , Ch. Adessi , R. Debord , M. Apreutesei , R. Bachelet , S. Pailhès

We present a mechanism able to show intrinsic bistable behaviour involving single Yb3+ ions embedded into bromide lattices, in which intrinsic optical bistability (IOB) has been observed. The mechanism is based on the experimentally found…

Chemical Physics · Physics 2010-08-23 F. Ciccarello , A. Napoli , A. Messina , S. R. Luthi

Recent research on perovskite solar cells has caught much attention for the application in renewable energy materials. However, the effect of external dopants on the performance of perovskite solar cell is yet to be understood properly.…

Materials Science · Physics 2024-01-18 Chongyao Yang , Wei Wu , Kwang-Leong Choy

In this study, the structural, electronic and optical properties of Pb doped rutile SnO$_2$ were investigated using the range separated hybrid exchange-correlation functional method. In the calculations, LDA functional was used instead of…

Materials Science · Physics 2021-07-28 Veysel Çelik

Topological insulators (TIs) have attracted much attention due to their spin-polarized surface and edge states, whose origin in symmetry gives them intriguing quantum-mechanical properties. Robust control over the chemical potential of TI…

Mesoscale and Nanoscale Physics · Physics 2015-10-28 Andrew L. Yeats , Yu Pan , Anthony Richardella , Peter J. Mintun , Nitin Samarth , David D. Awschalom

The properties of ferroelectric materials, such as lead zirconate titanate (PZT), are heavily influenced by the interaction of defects with domain walls. These defects are either intrinsic, or are induced by the addition of dopants. We…

Materials Science · Physics 2013-12-18 Anand Chandasekaran , Dragan Damjanovic , Nava Setter , Nicola Marzari

The electrical and optoelectronic properties of transition-metal dichalcogenides (TMDs), such as MoS2, are highly dependent on carrier doping and layer thickness. The ability to selectively control these two critical characteristics is of…

Materials Science · Physics 2023-01-26 Lei Zhang , Kun Liu , Fanyi Kong , Xue Han , Jianxun Dai , Mengmeng Wang , Changsen Sun , Huolin Huang , Lujun Pan , Dawei Li

Due to the photo-instability and hysteresis of TiO$_2$ electron transport layer (ETL) in perovskite solar cells (PSCs), novel electron transport materials are highly demanded. Here, we show ideal band alignment between La-doped BaSnO$_3$…

Materials Science · Physics 2018-08-23 Chang Woo Myung , Geunsik Lee , Kwang S. Kim

In doped SrTiO$_{3}$ superconductivity persists down to an exceptionally low concentration of mobile electrons. This restricts the relevant energy window and possible pairing scenarios. We present a study of quantum oscillations and…

Hyperdoping, overcoming the solubility limit of dopants in a crystalline semiconductor, is a fertile method for the enhancement of the electrical, structural and optical devices' performances and for the exploration of exotic phases such as…

Hydrogenated amorphous silicon is well known for its various alloys and wide ranging opto-electronic properties. Hydrogenated silicon sub-oxide (aSiO:H) is one of them. The effect of boron doping on optoelectronic properties of the aSiO:H…

Optics · Physics 2024-05-13 S M Iftiquar

Doped SrTiO3 becomes a metal at extremely low doping concentrations n and is even superconducting with the superconducting transition temperature adopting a dome-like shape with the carrier concentration. It is shown here within the…

Materials Science · Physics 2019-10-08 Annette Bussmann-Holder , Hugo Keller , Arndt Simon , Krystian Roleder , Krzysztof Szot

We report the doping high concentration of tetravalent Ge4+ ions (5 mol % for x = 0.05 to 30 mol % for x = 0.30) at the Fe3+ sites of Fe2-xGexO3 system by chemical coprecipitation route. The charge state of Fe and Ge ions has been modified…

Materials Science · Physics 2023-09-08 Divya Sherin G T , R. N Bhowmik

We fabricate LaxSr2-x-yBayIrO4-delta thin films by pulsed laser deposition, in an effort to realize the effective carrier doping and metallization in the Sr2IrO4 system. We design ideal in-plane Ir-O-Ir frame structure by utilizing tensile…

Materials Science · Physics 2016-02-01 M. Ito , M. Uchida , Y. Kozuka , K. S. Takahashi , M. Kawasaki

Hyperdoping has emerged as a promising method for designing semiconductors with unique optical and electronic properties, although such properties currently lack a clear microscopic explanation. Combining computational and experimental…

We report properties of the reported transparent conductor CuI, including the effect of heavy $p$-type doping. The results, based on first principles calculations, include analysis of the electronic structure and calculations of optical and…

Materials Science · Physics 2018-04-04 Y. Li , J. Sun , D. J. Singh

Nb doped SrTiO3, the first discovered two-gap superconductor, is shown to be the most unconventional one of the known multiband superconductors, since the smaller of the two superconducting gaps follows a non BCS temperature dependence.…

Superconductivity · Physics 2009-09-24 A. Bussmann-Holder , A. R. Bishop , A. Simon

Integrating epitaxial BaTiO$_3$ (BTO) with Si is essential for leveraging its ferroelectric, piezoelectric, and nonlinear optical properties in microelectronics. Recently, heterogeneous integration approaches that involve growth of BTO on…

LiNbO3 is a distinguished multifunctional material where ferroelectric domain engineering is of paramount importance. This degree of freedom of the spontaneous polarization remarkably enhances the applicability of LiNbO3, for instance in…