Towards a Multi-scale Approach to the Simulation of Silicon Hetero-junction Solar Cells

Aeberhard, Urs; Czaja, Philippe; Ermes, Markus; Pieters, Bart E.; Chistiakova, Ganna; Bittkau, Karsten; Richter, Alexei; Ding, Kaining; Giusepponi, Simone; Celino, Massimo

doi:10.13052/jge1904-4720.5342

Cited by 3 publications

(4 citation statements)

References 27 publications

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“…In the SHJ case, the nanoscale region of the interface between amorphous and crystalline silicon with decisive impact on the device properties is created atomistically and from first principles using ab initio molecular dynamics, and the electronic structure is evaluated with density functional theory [48]. The charge transport and recombination across the interface is simulated using NEGF, and complex interdigitated contact configuration as well as light management via textures and antireflection coatings are considered in an integrated 3D TCAD approach [24].…”

Section: Mesoscopic Carrier Dynamics In Nanostructuresmentioning

confidence: 99%

“…Crystalline silicon (c-Si) is by far leading the PV market and there is still an intense research activity in Si based solar cells. Compared to the historical first generation c-Si solar cells that had a very simple design, with an n-type front emitter on a p-type c-Si wafer along with an Al back surface field, significant improvements have been achieved introducing passivation schemes leading to the so-called PERC (Passivated Emitter and Rear Cell) and PERL (Passivated Emitter, Rear Locally-diffused) cells with a record efficiency of 24.7% (that has been reevaluated to 25%) [10] obtained on a small size cell (few cm 2 ). This record has been unbeaten for more than 15 years, but it has been broken several times recently using various new concepts, namely the interdigitated back contact cell (IBC) architecture [11], and, very recently, the so-called TopCon concept, tunnel-oxide passivated rear contact and high-quality top surface passivation [12].…”

Section: Introductionmentioning

confidence: 99%

“…The study of the specific behavior of such structures in terms of electronic, optical and thermal properties and its influence on macroscopic device characteristics requires the combination of modeling and characterization techniques at different scales. Indeed, there has been much effort in sharing lessons learned across this range of physical scales, and the resulting field of multiscale modeling and characterization is very active [23][24][25]. Figure 1 shows schematically the main four scales involved, which reach from the atomistic scale up to module level.…”

Section: Introductionmentioning

confidence: 99%

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Multiscale in modelling and validation for solar photovoltaics

et al. 2018

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Photovoltaics is amongst the most important technologies for renewable energy sources, and plays a key role in the development of a society with a smaller environmental footprint. Key parameters for solar cells are their energy conversion efficiency, their operating lifetime, and the cost of the energy obtained from a photovoltaic system compared to other sources. The optimization of these aspects involves the exploitation of new materials and development of novel solar cell concepts and designs. Both theoretical modeling and characterization of such devices require a comprehensive view including all scales from the atomic to the macroscopic and industrial scale. The different length scales of the electronic and optical degrees of freedoms specifically lead to an intrinsic need for multiscale simulation, which is accentuated in many advanced photovoltaics concepts including nanostructured regions. Therefore, multiscale modeling has found particular interest in the photovoltaics community, as a tool to advance the field beyond its current limits. In this article, we review the field of multiscale techniques applied to photovoltaics, and we discuss opportunities and remaining challenges.

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Section: Mesoscopic Carrier Dynamics In Nanostructuresmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Multiscale in modelling and validation for solar photovoltaics

et al. 2018

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“…The density of these defect states is an important parameter in the Shockley-Read-Hall model for calculating capture cross sections, and should therefore attain realistic values in the generated structures. The states of the bulk a-Si:H are further used for calculating the absorption coefficient from ab initio, which is a first step towards linking the global device characteristics to the local microstructure in a comprehensive multi-scale simulation approach [6]. As the optical properties of any materials depend crucially on their band gap this quantity is of essential importance for obtaining physically relevant results.…”

Section: Introductionmentioning

confidence: 99%

Ab Initio Description of Optoelectronic Properties at Defective Interfaces in Solar Cells

Czaja

Celino

Giusepponi

et al. 2017

Lecture Notes in Computer Science

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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 and in bulk a-Si:H, in particular with respect to the impact of material inhomogeneities. The microscopic information is used to extract macroscopic material properties, and to identify localized defect states, which govern the recombination properties encoded in quantities such as capture cross sections used in the Shockley-Read-Hall theory. To this end, atomic configurations for a-Si:H and a-Si:H/c-Si interfaces are generated using molecular dynamics. Density functional theory calculations are then applied to these configurations in order to obtain the electronic wave functions. These are analyzed and characterized with respect to their localization and their contribution to the (local) density of states. GW calculations are performed for the a-Si:H configuration in order to obtain a quasi-particle corrected absorption spectrum. The results suggest that the quasi-particle corrections can be approximated through a scissors shift of the Kohn-Sham energies.

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Review: Heterojunction Tandem Solar Cells on Si-Based Metal Oxides

et al. 2023

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PV technology offers a sustainable solution to the increased energy demand especially based on mono- and polycrystalline silicon solar cells. The most recent years have allowed the successful development of perovskite and tandem heterojunction Si-based solar cells with energy conversion efficiency over 28%. The metal oxide heterojunction tandem solar cells have a great potential application in the future photovoltaic field. Cu2O (band gap of 2.07 eV) and ZnO (band gap of 3.3 eV) are very good materials for solar cells and their features completely justify the high interest for the research of tandem heterojunction based on them. This review article analyzes high-efficiency silicon-based tandem heterojunction solar cells (HTSCs) with metal oxides. It is structured on six chapters dedicated to four main issues: (1) fabrication techniques and device architecture; (2) characterization of Cu2O and ZnO layers; (3) numerical modelling of Cu2O/ZnO HTSC; (4) stability and reliability approach. The device architecture establishes that the HTSC is constituted from two sub-cells: ZnO/Cu2O and c-Si. The four terminal tandem solar cells contribute to the increased current density and conversion efficiency. Cu2O and ZnO materials are defined as promising candidates for high-efficiency solar devices due to the morphological, structural, and optical characterization emphasized. Based on multiscale modelling of PV technology, the electrical and optical numerical modelling of the two sub-cells of HTSC are presented. At the same time, the thermal stability and reliability approach are essential and needed for an optimum operation of HTSC, concerning the cell lifetime and degradation degree. Further progress on flexible HTSC could determine that such advanced solar devices would become commercially sustainable in the near future.

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Towards a Multi-scale Approach to the Simulation of Silicon Hetero-junction Solar Cells

Cited by 3 publications

References 27 publications

Multiscale in modelling and validation for solar photovoltaics

Multiscale in modelling and validation for solar photovoltaics

Ab Initio Description of Optoelectronic Properties at Defective Interfaces in Solar Cells

Review: Heterojunction Tandem Solar Cells on Si-Based Metal Oxides

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