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Defect-mediated nonradiative recombination, known as Shockley-Read-Hall (SRH) recombination is reformulated. The introduced model considers Coulomb attraction between charged deep defect and the approaching free carrier, showing that this…

Due to their high photovoltaic efficiency and low-cost synthesis, lead halide perovskites have attracted wide interest for application in new solar cell technologies. The most stable and efficient ABX$_3$ perovskite solar cells employ mixed…

Materials Science · Physics 2023-05-23 Lucy D. Whalley

Conduction and valence band-edge-property variations with position as well as defects giving rise to localized states in the energy gap can play a significant role in determining solar cell performance. Understanding their effects on a…

Applied Physics · Physics 2019-08-15 Yiming Liu , Stephen Fonash

The term defect tolerance is widely used in literature to describe materials such as lead-halides which exhibit long non-radiative lifetimes of carriers despite possessing a large concentration of point defects. Studies on defect tolerance…

Materials Science · Physics 2021-12-08 Basita Das , Zhifa Liu , Irene Aguilera , Uwe Rau , Thomas Kirchartz

The recombination rate in the space charge region (SCR) of a silicon-based barrier structure with long Shockley-Reed-Hall lifetime is calculated theoretically taking into account the concentration gradient of excess electron-hole pairs in…

Other Condensed Matter · Physics 2023-05-23 A. V. Sachenko , V. P. Kostylyov , M. Evstigneev

Electronic trap states are a critical yet unavoidable aspect of semiconductor devices, impacting performance of various electronic devices such as transistors, memory devices, solar cells, and LEDs. The density, energy level, and position…

We introduce a method to calculate defect-assisted Shockley-Read-Hall (SRH) recombination rates in imperfect semiconductors from first principles. The method accounts for the steady state recombination dynamics under given non-equilibrium…

Materials Science · Physics 2025-07-25 Jiban Kangsabanik , Kristian S. Thygesen

The resilience to deep traps and localized defect formation is one of the important aspects that qualify a material as suited photo-absorber in solar cell devices. Here we investigate by ab-initio calculations the fundamental physics and…

Materials Science · Physics 2015-07-06 Pietro Delugas , Alessio Filippetti , Alessandro Mattoni

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

Inelastic scattering and carrier capture by defects in semiconductors are the primary causes of hot-electron-mediated degradation of power devices, which holds up their commercial development. At the same time, carrier capture is a major…

Materials Science · Physics 2015-12-30 Georgios D. Barmparis , Yevgeniy S. Puzyrev , X. -G. Zhang , Sokrates T. Pantelides

The charge carrier dynamics of organic solar cells are strongly influenced by trapping and allow to draw conclusions on the loss mechanisms limiting the photovoltaic performance. In this study we derive the recombination order \Delta\ of…

Materials Science · Physics 2013-07-26 Carsten Deibel , Daniel Rauh , Alexander Foertig

Stability is one of the most important challenges facing organic solar cells (OSC) on their path to commercialization. In the high-performance material system PM6:Y6 studied here, investigate degradation mechanisms of inverted photovoltaic…

Defect-assisted recombination is an important limitation on efficiency of optoelectronic devices. However, since nonradiative capture rates decrease exponentially with energy of the transition, the mechanisms by which such recombination can…

Materials Science · Physics 2016-06-08 Audrius Alkauskas , Cyrus E. Dreyer , John L. Lyons , Chris G. Van de Walle

The effective conductivity determines the reciprocal of the transport resistance, the dominant loss of fill factor in organic solar cells. We experimentally determine the dependence of effective conductivity on its electron and hole…

Materials Science · Physics 2025-08-18 Chen Wang , Toni Seiler , Doyoung Sun , Safa Shoaee , Maria Saladina , Carsten Deibel

A one-dimensional many-body model is established to mimic the charge distribution and dynamics in nonfullerene organic solar cells. Two essential issues are taken into account in the model: The alternating donor and acceptor structure and…

Materials Science · Physics 2018-12-05 Yao Yao

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

We present first principles calculations of the electronic properties of trigonal selenium with emphasis on photovoltaic applications. The band gap and optical absorption spectrum of pristine selenium is calculated from many-body…

Non-equilibrium defects often dictate macroscopic functional properties of materials. In intercalation hosts, widely used in rechargeable batteries, high-dimensional defects largely define reversibility and kinetics1,2,3,4. However,…

Defects play an important role in determining the type of carriers as well as on tuning the physical properties of layered materials. In this study, we have demonstrated that by varying the growth kinetics one can control the defects and…

Materials Science · Physics 2023-07-03 Sonali Baral , Indu Rajput , Mukesh Kumar Dasoundhi , Devendra Kumar , Archana Lakhani

To accurately calculate efficiencies $\eta$ of experimentally produced multijunction solar cells (MJSCs) and optimize their parameters, we offer semi-analytical photoconversion formalism that incorporates radiative recombination,…

Materials Science · Physics 2016-11-17 A. V. Sachenko , A. I. Shkrebtii , V. P. Kostylyov , M. R. Kulish , I. O. Sokolovskyi
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