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The inconclusive results of the previous first-principles studies on the \S3 \ grain boundaries (GBs) in \CISe\ reveal the importance of employing a method that can correctly describe the electronic structure of this solar-cell material. We…

Materials Science · Physics 2016-01-07 Hossein Mirhosseini , Janos Kiss , Claudia Felser

A Copper-Zinc-Tin-Sulphide (CZTS)based solar cell with a modified ce3ll configuration of Mo/SnS/CZTS/SnS2/ZnO is simulated using SCAPS. An SnS2 buffer layer is used in simulation instead of the standard CdS layer. An additional back surface…

Materials Science · Physics 2015-10-20 Atul Kumar , Ajay D. Thakur

CdTe is a key thin-film photovoltaic technology. Non-radiative electron-hole recombination reduces the solar conversion efficiency from an ideal value of 32% to a current champion performance of 22%. The cadmium vacancy (V_Cd) is a…

Materials Science · Physics 2021-06-21 Seán R. Kavanagh , Aron Walsh , David O. Scanlon

Defects play important roles in semiconductors for optoelectronic applications. Common intuition is that defects with shallow levels act as carrier providers and defects with deep levels are carrier killers. Here, taking the Cu defects in…

Materials Science · Physics 2017-09-13 Ji-Hui Yang , Wyatt K. Metzger , Su-Huai Wei

Graded composition CdxZn1-xTe films were prepared by growing several alternate layers of CdTe and ZnTe by the Isothermal Close Space Sublimation technique. The thickness of both kinds of layers was modified along the structure to produce an…

There is evidence that interface recombination in Cu2ZnSnS4 solar cells contributes to the open-circuit voltage deficit. Our hybrid density functional theory calculations suggest that electron-hole recombination at the Cu2ZnSnS4/CdS…

Materials Science · Physics 2019-01-23 Ji-Sang Park , Sunghyun Kim , Samantha N. Hood , Aron Walsh

Electrodeposited thin film cells have been fabricated with record-breaking efficiencies of 11.4%. This presentation examines conversion mechanisms in cells with a focus on the effect of CdS buffer layers using a range of complementary…

Mesoscale and Nanoscale Physics · Physics 2010-06-10 J. P. Connolly , Z. Djebbour , A. Darga , C. Bazin , D. Mencaraglia , M. Benosman , N. Bodereau , JF Guillemoles , D. Lincot , J. Kessler , N. Naghavi , J. Kurdi , O. Kerrec

In cuprates, the strong correlations in proximity to the antiferromagnetic Mott insulating state give rise to an array of unconventional phenomena beyond high temperature superconductivity. Developing a complete description of the ground…

The mechanisms controlling the growth rate and composition of epitaxial CdTe and CdZnTe films were studied. The films were grown by isothermal closed space configuration technique. A GaAs 100 substrate was exposed sequentially to the…

Applied Physics · Physics 2019-10-09 E. M. Larramendi , O. de Melo , M. Hernández Vélez , M. C. Tamargo

We developed a framework for predicting the energies and ground state configurations of native point defects, extrinsic dopants and impurities, and defect complexes across zinc blende-phase Cd/Zn-Te/Se/S compounds, important for CdTe-based…

Materials Science · Physics 2026-05-26 Md Habibur Rahman , Maitreyo Biswas , Arun Mannodi-Kanakkithodi

Most properties of solid materials are defined by their internal electric field and charge density distributions which so far are difficult to measure with high spatial resolution. Especially for 2D materials, the atomic electric fields…

We explore CdTe fractional monolayer quantum dots (QDs) in a ZnCdSe host matrix for potential application in an intermediate band solar cell device. Careful consideration has been taken during the initiation of the growth process of QDs by…

Applied Physics · Physics 2020-01-29 V. Deligiannakis , G. Ranepura , I. L. Kuskovsky , M. C. Tamargo

Metastable defects can decisively influence the diode factor and thus the efficiency of a solar cell. The diode factor is also influenced by the doping level and the recombination mechanisms in the solar cell. Here we quantify how the…

Applied Physics · Physics 2025-12-01 T. Wang , F. Ehre , T. P. Weiss , B. Veith-Wolf , V. Titova , N. Valle , M. Melchiorre , J. Schmidt , S. Siebentritt

As emphasized in a recent review article [Chem. Rev. 122, 14180 (2022)], organic solar cell (OSC) photoconversion efficiency has been rapidly evolving with results increasingly comparable to those of traditional inorganic solar cells.…

Chemical Physics · Physics 2023-06-01 Taouali W , Alimi K , Nangraj A. S. , Casida M. E

Point defects introduce localized electronic states that critically affect carrier trapping, recombination, and transport in functional materials. The associated charge transition levels (CTLs) can depend on temperature, requiring accurate…

Materials Science · Physics 2025-12-18 Tobias Hainer , Ethan Berger , Esmée Berger , Olof Hildeberg , Paul Erhart , Julia Wiktor

We present a study of deep levels in CdZnTeSe radiation-detection materials. The approach relies on electrical methods that combine time and temperature evolution of the electric field and electric current after switching on the bias…

Instrumentation and Detectors · Physics 2019-09-04 M Rejhon , V Dědič , L Beran , U N Roy , J Franc , R B James

Opening of a gap in the low-energy excitations spectrum affects the power-law singularity in the photon absorption spectrum $A(\Omega)$. In the normal state, the singularity, $A(\Omega)\propto [D/(\Omega-\Omega_{\rm th})]^\alpha$, is…

Mesoscale and Nanoscale Physics · Physics 2009-12-16 V. V. Mkhitaryan , E. G. Mishchenko , M. E. Raikh , L. I. Glazman

We study by photoacoustic spectroscopy the band--gap shift effect of CdS films. The CdS films were grown by chemical bath deposition and exposed to different annealing atmospheres over a range of temperature in which the sample structure is…

Condensed Matter · Physics 2007-05-23 S. A. Tomas

We present a first principles study based on density functional theory of thermodynamic and electronic properties of the most important intrinsic defects in the semiconductor alloy Cd(1-x)Zn(x)Te with x<0.13. The alloy is represented by a…

Materials Science · Physics 2013-11-20 Daniel Åberg , Paul Erhart , Vincenzo Lordi

Shifting the Fermi energy in solids by doping, defect formation or gating generally results in changes in the charge density distribution, which reflect the ability of the bonding pattern in solids to adjust to such external perturbations.…