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Modern electronic devices are unthinkable without the well-controlled formation of interfaces at heterostructures. These often involve at least one amorphous material. Modeling such interfaces poses a significant challenge, since a…

Computational Physics · Physics 2015-06-17 L. E. Hintzsche , C. M. Fang , M. Marsman , M. W. P. E. Lamers , A. W. Weeber , G. Kresse

Among silicon-based solar cells, heterojunction cells hold the world efficiency record. However, their market acceptance is hindered by an initial 0.5\% per year degradation of their open circuit voltage which doubles the overall cell…

Using a combination of quantum and classical computational approaches, we model the electronic structure in amorphous silicon in order gain understanding of the microscopic atomic configurations responsible for light induced degradation of…

Materials Science · Physics 2009-11-13 Lucas K. Wagner , Jeffrey C. Grossman

Amorphous hydrogenated silicon (a-Si:H) is an important material for surface defect passivation of photovoltaic silicon (Si) wafers in order to reduce their recombination losses. The material is however unstable with regards to hydrogen (H)…

The structural and electronic properties of amorphous silicon ($a$-Si) are investigated by first-principles calculations based on the density-functional theory (DFT), focusing on the intrinsic structural defects. By simulated melting and…

Materials Science · Physics 2017-10-11 Yoritaka Furukawa , Yu-ichiro Matsushita

Hydrogen, introduced into crystalline (c-) or amorphous (a-) silicon (Si), plays an important role in improving Si properties for photovoltaics application. Low temperature proton implantation in c-Si and a-Si or H-doping of Si films…

Materials Science · Physics 2014-06-04 Z. A. Ibrahim , A. I. Shkrebtii , F. Zimmer-de Iuliis , F. Gaspari

The efficiency of silicon solar cells gradually decreases in various environments, with humidity being a key factor contributing to this decline through moisture-induced degradation (MID) involving multiple mechanisms including encapsulant…

Materials Science · Physics 2026-03-13 Bo Li , Feifei Zhang , Yu Pang , Jinyu Hu , Huiyan Zhao , Guocai Liu , Chao He , Xingtao An

P-type doped CdTe free surfaces Schottky contacts, and even interfaces with isostructural p-ZnTe frequently exhibit downward band bending and moderate to high recombination velocities. Fermi level pinning by donor-like states can explain…

Hydrogenation of amorphous silicon (a-Si:H) is critical for reducing defect densities, passivating mid-gap states and surfaces, and improving photoconductivity in silicon-based electro-optical devices. Modelling the atomic scale structure…

In order to optimize the optoelectronic properties of novel solar cell architectures, such as the amorphous-crystalline interface in silicon heterojunction devices, we calculate and analyze the local microscopic structure at this interface…

Materials Science · Physics 2017-08-25 Philippe Czaja , Massimo Celino , Simone Giusepponi , Michele Gusso , Urs Aeberhard

This experimental PhD work deals with the generation and transformation processes of point defects induced by UV laser irradiation on amorphous silicon dioxide (silica). The investigation relies on several spectroscopic techniques used to…

Materials Science · Physics 2007-05-23 F. Messina

Several amorphous silicon structures were generated using a classical molecular dynamics (MD) protocol of melting and quenching with different quenching rates. An analysis of the calculated electronic properties of these structures revealed…

Materials Science · Physics 2020-12-23 Reza Vatan Meidanshahi , Payam Mehr , Stephan Marshal Goodnick

We present a first-principles study of the structural, electronic, and optical properties of hydrogenated amorphous silicon (a-Si:H). To this end, atomic configurations of a-Si:H with 72 and 576 atoms respectively are generated using…

Materials Science · Physics 2017-03-31 Philippe Czaja , Urs Aeberhard , Massimo Celino , Simone Giusepponi , Michele Gusso

Heterojunction Si solar cells exhibit notable performance degradation. We developed the SolDeg platform to model this degradation as electronic defects getting generated by thermal activation across energy barriers over time. First,…

We investigated the electronic structure of the Si(111)--7$\times$7 surface below 20 K by scanning tunneling and photoemission spectroscopies and by density functional theory calculations. Previous experimental studies have questioned the…

Strongly Correlated Electrons · Physics 2021-04-20 S. Modesti , P. M. Sheverdyaeva , P. Moras , C. Carbone , M. Caputo , M. Marsi , E. Tosatti , G. Profeta

Historically, the design of hybrid solar photovoltaic thermal (PVT) systems has focused on cooling crystalline silicon (c-Si)-based photovoltaic (PV) devices to avoid temperature-related losses. This approach neglects the associated…

Materials Science · Physics 2012-08-09 M. J. M Pathak , K. Girotra , S. J. Harrison , J. M. Pearce

We have employed state-of-the-art cross-correlation noise spectroscopy to study carrier dynamics in silicon heterojunction solar cells, complimented by SENTARUS simulations of the same devices. These cells were composed of a light absorbing…

Applied Physics · Physics 2020-08-21 Kevin Davenport , Mark Hayward , C. T. Trinh , Klaus Lips , Andrey Rogachev

Microstructured Silicon, which is obtained by irradiating the surface of a Silicon wafer with femtosecond laser pulses under certain circumstances, has unusual optical properties such as the strong absorption of light with wavelength from…

Materials Science · Physics 2013-02-26 Huili He , Changshui Chen , Fang Wang , Songhao Liu

Solution-processed amorphous silicon is a promising material for semiconductor devices. Unfortunately, its manufacturing leaves a high density of defects in the layer, which can be reduced by a treatment with hydrogen radicals. Here, we…

Illumination has been long known to affect semiconductor defect properties during either growth or operating process. Current theories of studying the illumination effects on defects usually have the assumption of unaffected formation…

Computational Physics · Physics 2023-05-05 Guo-Jun Zhu , Yi-Bin Fang , Zhi-Guo Tao , Ji-Hui Yang , Xin-Gao Gong
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