Roland Mainz
Current Organizations / Institutes
The organizations/institutes from the scholar's latest article
Research Subjects
Roland Mainz has a total of 292 co-authors. Here are the top co-authors by number of shared publications:
- Christian Alexander Kaufmann
Competence Centre Photovoltaics Berlin (PVcomB) Helmholtz‐Zentrum Berlin für Materialien und Energie GmbH Berlin Germany
19 shared publications - Thomas Unold
Helmholtz-Zentrum Berlin, Department Structure and Dynamics of Energy Materials, Hahn-Meitner Platz 1, 14109 Berlin, Germany
19 shared publications A. Weber
Helmholtz–Zentrum Berlin für Materialien und Energie GmbH 3 , Hahn-Meitner-Platz 1, 14109 Berlin, Germany
16 shared publicationsH. Rodriguez-Alvarez
Helmholtz-Zentrum Berlin, Hahn-Meitner-Platz 1, Berlin, 14109, Germany
13 shared publicationsD. Abou-Ras
Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, Hahn-Meitner-Platz 1, 14109 Berlin, Germany
11 shared publicationsM. Klaus
10 shared publications
Latest Publications
- Open Access
- 18 May 2022
- Published by Wiley in Progress in Photovoltaics: Research and Applications
- Vol. 30 (10) , 1238-1246
Effects of material properties of band‐gap‐graded Cu(In,Ga)Se2 thin films on the onset of the quantum efficiency spectra of corresponding solar cells
Polycrystalline Cu(In,Ga)Se2 (CIGSe) thin‐film solar cells exhibit gradual onset in their external quantum efficiency (EQE) spectra whose shape can be affected by various CIGSe material properties. Apart from influences on the charge‐carrier collection, a broadening of the EQE onset leads to enhanced radiative losses in open‐circuit voltage (Voc). In the present work, Gaussian broadening of parameters describing the EQE onset of thin‐film solar cells, represented by the standard deviation, ????total, was evaluated to study the impacts of the effective band‐gap energy, the electron diffusion length, and the Ga/In gradient in the CIGSe absorber. It is shown that ????total can be disentangled into contributions of these material properties, in addition to a residual component ????residual. Effectively, ????total depends only on a contribution related to the Ga/In gradient as well as on ????residual. The present work highlights the connection of this compositional gradient, the microstructure in the polycrystalline CIGSe absorber, and the luminescence emission with the residual component ????residual. It is demonstrated that a flat band‐gap with no compositional gradient in the bulk of the CIGSe absorber is essential to obtain the lowest ????total values and thus result in lower recombination losses and gains in Voc.
- 18 May 2022
- Published by Wiley in Progress in Photovoltaics: Research and Applications
- Vol. 30 (10) , 1238-1246
Open AccessEffects of material properties of band‐gap‐graded Cu(In,Ga)Se2 thin films on the onset of the quantum efficiency spectra of corresponding solar cells
Polycrystalline Cu(In,Ga)Se2 (CIGSe) thin‐film solar cells exhibit gradual onset in their external quantum efficiency (EQE) spectra whose shape can be affected by various CIGSe material properties. Apart from influences on the charge‐carrier collection, a broadening of the EQE onset leads to enhanced radiative losses in open‐circuit voltage (Voc). In the present work, Gaussian broadening of parameters describing the EQE onset of thin‐film solar cells, represented by the standard deviation, ????total, was evaluated to study the impacts of the effective band‐gap energy, the electron diffusion length, and the Ga/In gradient in the CIGSe absorber. It is shown that ????total can be disentangled into contributions of these material properties, in addition to a residual component ????residual. Effectively, ????total depends only on a contribution related to the Ga/In gradient as well as on ????residual. The present work highlights the connection of this compositional gradient, the microstructure in the polycrystalline CIGSe absorber, and the luminescence emission with the residual component ????residual. It is demonstrated that a flat band‐gap with no compositional gradient in the bulk of the CIGSe absorber is essential to obtain the lowest ????total values and thus result in lower recombination losses and gains in Voc.
- Open Access
- 13 May 2021
- Published by Wiley in Physica Status Solidi (RRL) – Rapid Research Letters
- Vol. 15 (7)
Optoelectronic Inactivity of Dislocations in Cu(In,Ga)Se2 Thin Films
High‐efficiency Cu(In,Ga)Se2 (CIGS) thin‐film solar cells are based on polycrystalline CIGS absorber layers, which contain grain boundaries, stacking faults, and dislocations. While planar defects in CIGS layers have been investigated extensively, little is still known about the impact of dislocations on optoelectronic properties of CIGS absorbers. Herein, evidence for an optoelectronic inactivity of dislocations in these thin films is given, in contrast to the situation at grain boundaries. This unique behavior is explained by the extensive elemental redistribution detected around dislocation cores, which is connected with the dislocation strain field, probably leading to a shift of defect states toward the band edges.
- 13 May 2021
- Published by Wiley in Physica Status Solidi (RRL) – Rapid Research Letters
- Vol. 15 (7)
Open AccessOptoelectronic Inactivity of Dislocations in Cu(In,Ga)Se2 Thin Films
High‐efficiency Cu(In,Ga)Se2 (CIGS) thin‐film solar cells are based on polycrystalline CIGS absorber layers, which contain grain boundaries, stacking faults, and dislocations. While planar defects in CIGS layers have been investigated extensively, little is still known about the impact of dislocations on optoelectronic properties of CIGS absorbers. Herein, evidence for an optoelectronic inactivity of dislocations in these thin films is given, in contrast to the situation at grain boundaries. This unique behavior is explained by the extensive elemental redistribution detected around dislocation cores, which is connected with the dislocation strain field, probably leading to a shift of defect states toward the band edges.
- Open Access
- 22 October 2020
- Published by Royal Society of Chemistry (RSC) in Journal of Materials Chemistry A
- Vol. 8 (43) , 22626-22631
Dependence of phase transitions on halide ratio in inorganic CsPb(BrxI1−x)3 perovskite thin films obtained from high-throughput experimentation
The heating and cooling phase diagram of CsPb(BrxI1−x)3 is determined by combinatorial synthesis and high throughput X-ray characterization.
- 22 October 2020
- Published by Royal Society of Chemistry (RSC) in Journal of Materials Chemistry A
- Vol. 8 (43) , 22626-22631
Open AccessDependence of phase transitions on halide ratio in inorganic CsPb(BrxI1−x)3 perovskite thin films obtained from high-throughput experimentation
The heating and cooling phase diagram of CsPb(BrxI1−x)3 is determined by combinatorial synthesis and high throughput X-ray characterization.
- 21 August 2020
- Published by American Physical Society (APS) in Physical Review Applied
- Vol. 14 (2) , 024063
Stress Formation During - Interdiffusion in Thin-Film Absorber Layers Leads to Stable GradientsTo optimize the opto-electronic properties of compound semiconductors, a detailed understanding and control of compositional gradients forming during their synthesis is crucial. A common fabrication process for (CIGS) thin-film solar cells uses annealing at high temperatures, which—contrary to what could be expected from simple Fickian diffusion—results in the formation of steep and stable gradients, deviating from the optimal profile for high-efficiency CIGS absorbers. Here, we show that the formation of elastic stresses inside the material during the interdiffusion can have a profound effect on the final distribution, resulting in persistent gradients inside CIGS absorber layers. A comparison of numerical diffusion and stress-formation calculations with real-time synchroton-based energy-dispersive x-ray diffraction data acquired in-situ during selenization of CIGS thin films demonstrates that the model can reproduce the stagnation of - interdiffusion. We discuss that a detailed understanding of the interplay between stress and diffusion processes in thin films may open alternative fabrication strategies for generating desired stable compositional gradients to improve the opto-electronic properties of compound semiconductors, such as chalcopyrite, kesterite, and perovskite solar cell absorbers for solar cells.- 21 August 2020
- Published by American Physical Society (APS) in Physical Review Applied
- Vol. 14 (2) , 024063
Stress Formation During - Interdiffusion in Thin-Film Absorber Layers Leads to Stable GradientsTo optimize the opto-electronic properties of compound semiconductors, a detailed understanding and control of compositional gradients forming during their synthesis is crucial. A common fabrication process for (CIGS) thin-film solar cells uses annealing at high temperatures, which—contrary to what could be expected from simple Fickian diffusion—results in the formation of steep and stable gradients, deviating from the optimal profile for high-efficiency CIGS absorbers. Here, we show that the formation of elastic stresses inside the material during the interdiffusion can have a profound effect on the final distribution, resulting in persistent gradients inside CIGS absorber layers. A comparison of numerical diffusion and stress-formation calculations with real-time synchroton-based energy-dispersive x-ray diffraction data acquired in-situ during selenization of CIGS thin films demonstrates that the model can reproduce the stagnation of - interdiffusion. We discuss that a detailed understanding of the interplay between stress and diffusion processes in thin films may open alternative fabrication strategies for generating desired stable compositional gradients to improve the opto-electronic properties of compound semiconductors, such as chalcopyrite, kesterite, and perovskite solar cell absorbers for solar cells.- 4 August 2020
- Published by American Physical Society (APS) in Physical Review Applied
- Vol. 14 (2) , 024005
Phototransport Properties of Thin Films: The Influence of and Planar DefectsThe presence of in-gap states, especially deep ones, that act as recombination centers in solar-cell absorbers influence the phototransport properties of the films, and thus, strongly affect the performance of the corresponding solar cells. The type and density of such defects is influenced by the deposition process. In particular, for , it is well established that the presence of a small amount of alkali metal atoms (e.g., ) improves the performance of the solar cell. Furthermore, in a coevaporation process, a -rich [[]/([] + []) > 1] intermediate step decreases the density of extended structural defects, such as stacking faults. Here, we apply temperature-dependent and intensity-dependent photoconductivity measurements, along with Shockley-Read-Hall model calculations, to study the phototransport properties of films with and without a -rich process step, as well as with and without . Our experimental and theoretical results indicate a correlation between the presence of planar defects and the formation of a shallow recombination level. Our results further suggest that eliminates deep recombination centers, and thus, increases the lifetime of the photogenerated charge carriers.- 4 August 2020
- Published by American Physical Society (APS) in Physical Review Applied
- Vol. 14 (2) , 024005
Phototransport Properties of Thin Films: The Influence of and Planar DefectsThe presence of in-gap states, especially deep ones, that act as recombination centers in solar-cell absorbers influence the phototransport properties of the films, and thus, strongly affect the performance of the corresponding solar cells. The type and density of such defects is influenced by the deposition process. In particular, for , it is well established that the presence of a small amount of alkali metal atoms (e.g., ) improves the performance of the solar cell. Furthermore, in a coevaporation process, a -rich [[]/([] + []) > 1] intermediate step decreases the density of extended structural defects, such as stacking faults. Here, we apply temperature-dependent and intensity-dependent photoconductivity measurements, along with Shockley-Read-Hall model calculations, to study the phototransport properties of films with and without a -rich process step, as well as with and without . Our experimental and theoretical results indicate a correlation between the presence of planar defects and the formation of a shallow recombination level. Our results further suggest that eliminates deep recombination centers, and thus, increases the lifetime of the photogenerated charge carriers.- 24 June 2020
- Published by American Physical Society (APS) in Physical Review Materials
- Vol. 4 (6) , 064605
Radiative recombination properties of near-stoichiometric thin filmsThe properties of electronic defects and their relation to structural defects are of high relevance for photovoltaic absorbers. Here, we use Raman scattering and steady-state photoluminescence to study the intrinsic optoelectronic properties of near-stoichiometric samples with a lateral composition gradient around the Cu saturation point. Apart from a well-known shallow defect band at 0.97 eV, we also observe a deep defect band at 0.8 eV, which is not discernable in photoluminescence spectra at lower temperatures. The preparation of a laterally graded sample with a very precise relative composition range by in situ process control allows for a measurement of a significant decrease of the photoluminescence emission yield at the Cu-poor/Cu-rich transition on a very narrow composition scale. Possible assignments of the bands to structural point defects are discussed.- 24 June 2020
- Published by American Physical Society (APS) in Physical Review Materials
- Vol. 4 (6) , 064605
Radiative recombination properties of near-stoichiometric thin filmsThe properties of electronic defects and their relation to structural defects are of high relevance for photovoltaic absorbers. Here, we use Raman scattering and steady-state photoluminescence to study the intrinsic optoelectronic properties of near-stoichiometric samples with a lateral composition gradient around the Cu saturation point. Apart from a well-known shallow defect band at 0.97 eV, we also observe a deep defect band at 0.8 eV, which is not discernable in photoluminescence spectra at lower temperatures. The preparation of a laterally graded sample with a very precise relative composition range by in situ process control allows for a measurement of a significant decrease of the photoluminescence emission yield at the Cu-poor/Cu-rich transition on a very narrow composition scale. Possible assignments of the bands to structural point defects are discussed.- Open Access
- 28 May 2020
- Published by Royal Society of Chemistry (RSC) in Journal of Materials Chemistry A
- Vol. 8 (22) , 11346-11353
High-temperature decomposition of Cu2BaSnS4 with Sn loss reveals newly identified compound Cu2Ba3Sn2S8
The decomposition mechanism of Cu2BaSnS4 is studied by in situ diffraction and fluorescence analysis revealing “Sn loss” and Cu2Ba3Sn2S8 at high temperatures.
- 28 May 2020
- Published by Royal Society of Chemistry (RSC) in Journal of Materials Chemistry A
- Vol. 8 (22) , 11346-11353
Open AccessHigh-temperature decomposition of Cu2BaSnS4 with Sn loss reveals newly identified compound Cu2Ba3Sn2S8
The decomposition mechanism of Cu2BaSnS4 is studied by in situ diffraction and fluorescence analysis revealing “Sn loss” and Cu2Ba3Sn2S8 at high temperatures.
- Open Access
- 23 March 2020
- Published by AIP Publishing in Journal of Applied Physics
- Vol. 127 (12) , 125701
Investigation of near-stoichiometric polycrystalline CuInSe2 thin films by photoreflectance spectroscopy
The bandgap of CuInSe2 thin film photovoltaic absorbers depends on the Cu content, although the nature of this dependence is still a matter of debate. While theoretical results predicted a widening or stable bandgap with decreasing Cu content, the few experimental data available point to a narrowing of the bandgap. Here, we apply photoreflectance spectroscopy at room temperature to near-stoichiometric polycrystalline CuInSe2/CdS heterojunctions with a lateral Cu gradient to analyze the electronic transitions in the vicinity of the fundamental absorption edge of CuInSe2 absorber as a function of Cu deficiency. The results indicate that the lowest bandgap transition at 1.02 eV notably decreases by 20–30 meV for slightly Cu deficient samples, strengthening the case for an association of a lower Cu content with a narrower bandgap. In contrast, the higher energy transition at 1.25 eV does not show a redshift, which requires further theoretical explanation.
- 23 March 2020
- Published by AIP Publishing in Journal of Applied Physics
- Vol. 127 (12) , 125701
Open AccessInvestigation of near-stoichiometric polycrystalline CuInSe2 thin films by photoreflectance spectroscopy
The bandgap of CuInSe2 thin film photovoltaic absorbers depends on the Cu content, although the nature of this dependence is still a matter of debate. While theoretical results predicted a widening or stable bandgap with decreasing Cu content, the few experimental data available point to a narrowing of the bandgap. Here, we apply photoreflectance spectroscopy at room temperature to near-stoichiometric polycrystalline CuInSe2/CdS heterojunctions with a lateral Cu gradient to analyze the electronic transitions in the vicinity of the fundamental absorption edge of CuInSe2 absorber as a function of Cu deficiency. The results indicate that the lowest bandgap transition at 1.02 eV notably decreases by 20–30 meV for slightly Cu deficient samples, strengthening the case for an association of a lower Cu content with a narrower bandgap. In contrast, the higher energy transition at 1.25 eV does not show a redshift, which requires further theoretical explanation.
- Open Access
Reaction Pathway for Efficient Cu2ZnSnSe4 Solar Cells from Alloyed Cu-Sn Precursor via a Cu‐Rich Selenization Stage
The selenization of stacked elemental metallic layers (CuSn–Zn) is a commonly reported approach in kesterite Cu2ZnSnSe4 (CZTSe) processing. CZTSe formation via this approach usually involves a reaction route containing binary selenides, such as SnSe2−x. The high volatility of these phases at the necessary annealing temperatures (500–550 °C) makes this reaction pathway prone to Sn loss, which makes it challenging to control the composition and quality of the grown material. Herein, an approach based on stacked elemental and alloyed precursors is reported, and the benefits of using a Zn/CuSn/Zn configuration are discussed. The absence of nonalloyed elemental Sn helps in suppressing the formation and subsequent evaporation of SnSe2−x phases, preventing Sn loss from the film during selenization. This reaction pathway involves a process scheme which 1) starts with the growth of CZTSe in a “Cu‐rich” environment, 2) includes a shift of the composition by supply of SnSe2−x vapor, and 3) terminates in the “Cu‐poor” regime, leading to device efficiencies above 10%. This composition shift in the presented process appears similar to the final stage of the commonly known CIGSe three‐stage coevaporation.
Open AccessReaction Pathway for Efficient Cu2ZnSnSe4 Solar Cells from Alloyed Cu-Sn Precursor via a Cu‐Rich Selenization Stage
The selenization of stacked elemental metallic layers (CuSn–Zn) is a commonly reported approach in kesterite Cu2ZnSnSe4 (CZTSe) processing. CZTSe formation via this approach usually involves a reaction route containing binary selenides, such as SnSe2−x. The high volatility of these phases at the necessary annealing temperatures (500–550 °C) makes this reaction pathway prone to Sn loss, which makes it challenging to control the composition and quality of the grown material. Herein, an approach based on stacked elemental and alloyed precursors is reported, and the benefits of using a Zn/CuSn/Zn configuration are discussed. The absence of nonalloyed elemental Sn helps in suppressing the formation and subsequent evaporation of SnSe2−x phases, preventing Sn loss from the film during selenization. This reaction pathway involves a process scheme which 1) starts with the growth of CZTSe in a “Cu‐rich” environment, 2) includes a shift of the composition by supply of SnSe2−x vapor, and 3) terminates in the “Cu‐poor” regime, leading to device efficiencies above 10%. This composition shift in the presented process appears similar to the final stage of the commonly known CIGSe three‐stage coevaporation.
- Open Access
- 5 March 2020
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 124 (9) , 095702
Secondary-Phase-Assisted Grain Boundary Migration inSignificant structural evolution occurs during the deposition of solar materials when the Cu content increases. We use in situ heating in a scanning transmission electron microscope to directly observe how grain boundaries migrate during heating, causing nondefected grains to consume highly defected grains. Cu substitutes for In in the near grain boundary regions, turning them into a Cu-Se phase topotactic with the grain interiors. Together with density functional theory and molecular dynamics calculations, we reveal how this Cu-Se phase makes the grain boundaries highly mobile.- 5 March 2020
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 124 (9) , 095702
Open AccessSecondary-Phase-Assisted Grain Boundary Migration inSignificant structural evolution occurs during the deposition of solar materials when the Cu content increases. We use in situ heating in a scanning transmission electron microscope to directly observe how grain boundaries migrate during heating, causing nondefected grains to consume highly defected grains. Cu substitutes for In in the near grain boundary regions, turning them into a Cu-Se phase topotactic with the grain interiors. Together with density functional theory and molecular dynamics calculations, we reveal how this Cu-Se phase makes the grain boundaries highly mobile.