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Structural and electronic properties of pristine and transition metal doped ZnS monolayer are investigated within the framework of density functional theory. The pristine ZnS monolayer is showing direct band gap of about 2.8 eV. The…

Materials Science · Physics 2017-11-16 Rajneesh Chaurasiya , Ambesh Dixit

Ferroelectrics with suitable band gaps have recently attracted attention as candidate solar absorbing materials for photovoltaics. The inversion symmetry breaking may promote the separation of photo-excited carriers and allow voltages…

Materials Science · Physics 2017-12-06 Yuwei Li , David J. Singh

Doped free carriers can substantially renormalize electronic self-energy and quasiparticle band gaps of two-dimensional (2D) materials. However, it is still challenging to quantitatively calculate this many-electron effect, particularly at…

Mesoscale and Nanoscale Physics · Physics 2017-12-14 Shiyuan Gao , Li Yang

Two-dimensional (2D) metal halides have received more attention because of their electronic and optoelectronic properties. Recently, researchers are interested to investigate the thermoelectric properties of metal halide monolayers because…

Materials Science · Physics 2020-04-30 Atanu Betal , Jayanta Bera , Satyajit Sahu

A method based on the particle swarm optimization (PSO) algorithm is presented to design quasi-two-dimensional (Q2D) materials. With this development, various single-layer and bi-layer materials in C, Si, Ge, Sn, and Pb were predicted. A…

Materials Science · Physics 2015-01-20 Wei Luo , Yanming Ma , Xingao Gong , Hongjun Xiang

We report the application of a coordination polymer semiconductor, tin(II) thiocyanate [Sn(SCN)$_2$] as an ultrathin anode interlayer in organic photovoltaics (OPVs). Sub-10 nm layers of Sn(SCN)$_2$ with high smoothness and excellent…

Quaternary mixed-metal chalcohalides (Sn$_2$BCh$_2$X$_3$) are emerging as promising lead-free perovskite-inspired photovoltaic absorbers. Motivated by recent developments of a first Sn$_2$BCh$_2$X$_3$-based device, we used density…

Materials Science · Physics 2023-09-28 Pascal Henkel , Jingrui Li , G. Krishnamurthy Grandhi , Paola Vivo , Patrick Rinke

Nano particles of pure ZnO, pure SnO$_2$, and nanocomposites of ZnO/SnO$_2$ were synthesized using microwave hydrothermal technique starting from aqueous solutions. Nanocomposites with different molar ratios of ZnO and SnO$_2$ were…

Materials Science · Physics 2023-01-27 J. V. S. Sajana D. Perera

The group IV-VI compound SnSe, with an orthorhombic lattice structure, has recently attracted particular interest due to its unexpectedly low thermal conductivity and high power factor, showing great promise for thermoelectric applications.…

Materials Science · Physics 2017-01-03 Xiaolong Xu , Qingjun Song , Haifeng Wang , Pan Li , Kun Zhang , Yilun Wang , Kai Yuan , Zichen Yang , Yu Ye , Lun Dai

Fulfillment of the promise of transparent electronics has been hindered until now largely by the lack of semiconductors that can be doped p-type in a stable way, and that at the same time present high hole mobility and are highly…

Materials Science · Physics 2016-03-01 Nasrin Sarmadian , Rolando Saniz , Bart Partoens , Dirk Lamoen

Direct energy bandgap materials are crucial for the efficient optoelectronics devices. Therefore, the investigation of new direct gap materials is important. In the present work, two novel d-metal sulfides Sc2CdS4 and Y2CdS4 compounds are…

Materials Science · Physics 2020-10-14 Abdul Ahad Khan , Zubaida Noor , G. Murtaza

Many semiconductors present weak or forbidden transitions at their fundamental band gaps, inducing a widened region of transparency. This occurs in high-performing n-type transparent conductors (TCs) such as Sn-doped In2O3 (ITO), however…

Two-dimensional (2D) InSe and WS$_2$ exhibit promising characteristics for optoelectronic and photoelectrochemical applications, e.g. photodetection and photocatalytic water splitting. However, both of them have poor absorption of visible…

Preceding the current interest in layered materials for electronic applications, research in the 1960's found that black phosphorus combines high carrier mobility with a fundamental band gap. We introduce its counterpart, dubbed few-layer…

Mesoscale and Nanoscale Physics · Physics 2014-04-25 Han Liu , Adam T. Neal , Zhen Zhu , David Tomanek , Peide D. Ye

NaSbS2 is a semiconductor that was recently shown to have remarkable efficacy as a solar absorber indicating efficient charge collection even in defected material. We report first principles calculations of properties that show (1) an…

Materials Science · Physics 2017-02-15 J. Sun , D. J. Singh

High-power infrared laser systems with broadband tunability are of great importance due to their wide range of applications in spectroscopy and free-space communications. These systems require nonlinear optical (NLO) crystals for wavelength…

Nonlinear second harmonic optical activity of graphene covering a gold photon sieve was determined for different polarizations. The photon sieve consists of a subwavelength gold nanohole array placed on glass. It combines the benefits of…

Mesoscale and Nanoscale Physics · Physics 2016-01-14 Michael Lobet , Michael Sarrazin , Francesca Cecchet , Nicolas Reckinger , Alexandru Vlad , Jean-François Colomer , Dan Lis

Research on graphene and other two-dimensional (2D) materials, such as silicene, germanene, phosphorene, hexagonal boron nitride (h-BN), graphitic carbon nitride (g-C3N4), graphitic zinc oxide (g-ZnO) and molybdenum disulphide (MoS2), has…

Materials Science · Physics 2016-03-03 Wei Hu , Jinlong Yang

Ge with a quasi-direct band gap can be realized by strain engineering, alloying with Sn, or ultrahigh n-type doping. In this work, we use all three approaches together to fabricate direct-band-gap Ge-Sn alloys. The heavily doped n-type…

Placing graphene on SnS2 results in significant charge transfer, on the order of 10^13/cm^2, from the graphene to the SnS2, and the charge transfer results in a negative Schottky barrier contact for electron injection from the graphene into…

Materials Science · Physics 2017-04-11 Shanshan Su , Protik Das , Supeng Ge , Roger Lake