Joachim Breternitz
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View article: On the Luminescent Properties of Eu <sup>3+</sup> ‐Doped La <sub>2</sub> M <sub>3</sub> (MoO <sub>4</sub> ) <sub>9</sub> (M = Hf, Zr)
On the Luminescent Properties of Eu <sup>3+</sup> ‐Doped La <sub>2</sub> M <sub>3</sub> (MoO <sub>4</sub> ) <sub>9</sub> (M = Hf, Zr) Open
Eu 3+ ‐doped double molybdates La 2− x Eu x M 3 (MoO 4 ) 9 (M = Hf, Zr) are synthesized via solid‐state reaction and systematically investigated with respect to their structural and luminescent properties under ultraviolet, vacuum ultravio…
View article: BaZrS <sub>3</sub> Lights Up: The Interplay of Electrons, Photons, and Phonons in Strongly Luminescent Single Crystals
BaZrS <sub>3</sub> Lights Up: The Interplay of Electrons, Photons, and Phonons in Strongly Luminescent Single Crystals Open
Chalcogenide perovskites have emerged as a promising class of materials for the next generation of optoelectronic applications, with BaZrS 3 attracting significant attention due to its wide bandgap, earth‐abundant composition, and thermal …
View article: Br-Induced Suppression of Low-Temperature Phase Transitions in Mixed-Cation Mixed-Halide Perovskites
Br-Induced Suppression of Low-Temperature Phase Transitions in Mixed-Cation Mixed-Halide Perovskites Open
Mixed-cation mixed-halide lead perovskites have been shown to be excellent candidates for solar energy conversion. However, understanding the structural phases of these mixed-ion perovskites across a wide range of operating temperatures, i…
View article: The big bang of halide perovskites: The starting point of crystallization
The big bang of halide perovskites: The starting point of crystallization Open
Hybrid halide perovskites (HHPs) are very promising absorber materials for solar cells due to their high power conversion efficiency and the low-cost solution-based processing methods. We applied small angle X-ray scattering to MAPbI 3 , F…
View article: Uncovering cation disorder in ternary Zn<sub>1+<i>x</i></sub>Ge<sub>1−<i>x</i></sub>(N<sub>1−<i>x</i></sub>O<sub><i>x</i></sub>)<sub>2</sub> and its effect on the optoelectronic properties
Uncovering cation disorder in ternary Zn<sub>1+<i>x</i></sub>Ge<sub>1−<i>x</i></sub>(N<sub>1−<i>x</i></sub>O<sub><i>x</i></sub>)<sub>2</sub> and its effect on the optoelectronic properties Open
Ternary nitrides have potential as sustainable solar absorber materials. Their structures permit unique bandgap tuning through cation disorder. We experimentally show two independent disorder modes influencing the bandgap in similar but di…
View article: Synergistic Role of Water and Oxygen Leads to Degradation in Formamidinium-Based Halide Perovskites
Synergistic Role of Water and Oxygen Leads to Degradation in Formamidinium-Based Halide Perovskites Open
Mixed-cation metal halide perovskites have shown remarkable progress in photovoltaic applications with high power conversion efficiencies. However, to achieve large-scale deployment of this technology, efficiencies must be complemented by …
View article: The human factor: results of a small-angle scattering data analysis round robin
The human factor: results of a small-angle scattering data analysis round robin Open
A round-robin study has been carried out to estimate the impact of the human element in small-angle scattering data analysis. Four corrected datasets were provided to participants ready for analysis. All datasets were measured on samples c…
View article: CSD 2226012: Experimental Crystal Structure Determination
CSD 2226012: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: Interplay of Static and Dynamic Disorder in the Mixed-Metal Chalcohalide Sn <sub>2</sub> SbS <sub>2</sub> I <sub>3</sub>
Interplay of Static and Dynamic Disorder in the Mixed-Metal Chalcohalide Sn <sub>2</sub> SbS <sub>2</sub> I <sub>3</sub> Open
Chalcohalide mixed-anion crystals have seen a rise in interest as "perovskite-inspired materials" with the goal of combining the ambient stability of metal chalcogenides with the exceptional optoelectronic performance of metal halides. Sn2…
View article: Solvent and A-Site Cation Control Preferred Crystallographic Orientation in Bromine-Based Perovskite Thin Films
Solvent and A-Site Cation Control Preferred Crystallographic Orientation in Bromine-Based Perovskite Thin Films Open
Preferred crystallographic orientation in polycrystalline films is desirable for efficient charge carrier transport in metal halide perovskites and semiconductors. However, the mechanisms that determine the preferred orientation of halide …
View article: The human factor: results of a small-angle scattering data analysis Round Robin
The human factor: results of a small-angle scattering data analysis Round Robin Open
A Round Robin study has been carried out to estimate the impact of the human element in small-angle scattering data analysis. Four corrected datasets were provided to participants ready for analysis. All datasets were measured on samples c…
View article: Interplay of Static and Dynamic Disorder in the Mixed-Metal Chalcohalide Sn2SbS2I3
Interplay of Static and Dynamic Disorder in the Mixed-Metal Chalcohalide Sn2SbS2I3 Open
Chalcohalide mixed-anion crystals have seen a rise in interest as “perovskite-inspired materials” with the goal of combining the ambient stability of metal chalcogenides with the exceptional optoelectronic performance of metal halides. Sn2…
View article: Interplay of static and dynamic disorder in the mixed-metal chalcohalide Sn₂SbS₂I₃
Interplay of static and dynamic disorder in the mixed-metal chalcohalide Sn₂SbS₂I₃ Open
Chalcohalide mixed-anion crystals have seen a rise in interest as ‘perovskite-inspired materials’ with the goal of combining the ambient stability of metal chalcogenides with the exceptional optoelectronic performance of metal halides. Sn₂…
View article: Interplay of static and dynamic disorder in the mixed-metal chalcohalide Sn₂SbS₂I₃
Interplay of static and dynamic disorder in the mixed-metal chalcohalide Sn₂SbS₂I₃ Open
Chalcohalide mixed-anion crystals have seen a rise in interest as ‘perovskite-inspired materials’ with the goal of combining the ambient stability of metal chalcogenides with the exceptional optoelectronic performance of metal halides. Sn₂…
View article: Photoprotection in metal halide perovskites by ionic defect formation
Photoprotection in metal halide perovskites by ionic defect formation Open
Photoprotection is a vital phenomenon in plants that, under intense and prolonged exposure to light, temporarily limits photon absorption to avoid radiation damage, which allows long-term stable and efficient photosynthesis. Photoprotectio…
View article: Dataset for "Zinc Germanium Nitrides and Oxide Nitrides: The Influence of Oxygen on Electronic and Structural Properties."
Dataset for "Zinc Germanium Nitrides and Oxide Nitrides: The Influence of Oxygen on Electronic and Structural Properties." Open
Input files for the Quantum Espresso structure optimisations "*-relax.scf.in" and 12 x 12 x 12 MP-grid SCF "*-large-grid.scf.in" as well as lobster input files "*-lobsterin"
View article: Dataset for "Zinc Germanium Nitrides and Oxide Nitrides: The Influence of Oxygen on Electronic and Structural Properties."
Dataset for "Zinc Germanium Nitrides and Oxide Nitrides: The Influence of Oxygen on Electronic and Structural Properties." Open
Input files for the Quantum Espresso structure optimisations "*-relax.scf.in" and 12 x 12 x 12 MP-grid SCF "*-large-grid.scf.in" as well as lobster input files "*-lobsterin"
View article: Indium-free CIGS analogues: general discussion
Indium-free CIGS analogues: general discussion Open
Rafael Jaramillo opened discussion of the introductory lecture by David Mitzi: What is your most trusted approach to accurately measure the absorption coefficient on a new thin film material? David Mitzi replied: The point about significan…
View article: Bulk and surface characterisation techniques of solar absorbers: general discussion
Bulk and surface characterisation techniques of solar absorbers: general discussion Open
peer reviewed
View article: Zinc germanium nitrides and oxide nitrides: the influence of oxygen on electronic and structural properties
Zinc germanium nitrides and oxide nitrides: the influence of oxygen on electronic and structural properties Open
Oxygen alters the properties of semiconducting nitrides, such as ZnGeN 2 . We study the effect of oxygen incorporation computationally and compare the results to experimental values obtained in the system Zn 1+ x Ge 1− x (N 1− x O x ) 2 .
View article: Novel chalcogenides, pnictides and defect-tolerant semiconductors: general discussion
Novel chalcogenides, pnictides and defect-tolerant semiconductors: general discussion Open
David O. Scanlon opened a discussion of the paper by Mirjana Dimitrievska: Thank you for the very nice talk Mirjana! Zn and P on their own are toxic and earth abundant, but when together as Zn3P2, they make a very potent rat poison. Are yo…
View article: A thorough investigation of the crystal structure of willemite‐type Zn<sub>2</sub>GeO<sub>4</sub>
A thorough investigation of the crystal structure of willemite‐type Zn<sub>2</sub>GeO<sub>4</sub> Open
The thermodynamically stable phase of Zn 2 GeO 4 contains tetrahedrally coordinated cations only and crystallizes isostructurally to Zn 2 SiO 4 (willemite, space group , no. 148). While this material is considered for a plethora of energy‐…
View article: CCDC 2049312: Experimental Crystal Structure Determination
CCDC 2049312: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Halide perovskites – structural systematisation and what we learn from it
Halide perovskites – structural systematisation and what we learn from it Open
Hybrid halide perovskites have made a quite spectacular appearance in the field of photovoltaics, not only because device efficiency has shot over 25 % within 10 years of their development [1], but also because of their specific behaviour …
View article: A discussion on `Domain formation and phase transitions in the wurtzite-based heterovalent ternaries: a Landau theory analysis'
A discussion on `Domain formation and phase transitions in the wurtzite-based heterovalent ternaries: a Landau theory analysis' Open
Heterovalent ternary nitrides are considered one of the promising classes of materials for photovoltaics, combining attractive physical properties with low toxicity and element abundance. One of the front-runner systems under consideration…
View article: Symmetry relations in wurtzite nitrides and oxide nitrides and the curious case of <i>Pmc</i>2<sub>1</sub>
Symmetry relations in wurtzite nitrides and oxide nitrides and the curious case of <i>Pmc</i>2<sub>1</sub> Open
Binary III–V nitrides such as AlN, GaN and InN in the wurtzite-type structure have long been considered as potent semiconducting materials because of their optoelectronic properties, amongst others. With rising concerns over the utilizatio…
View article: Hybrid Perovskite at Full Tilt: Structure and Symmetry Relations of the Incommensurately Modulated Phase of Methylammonium Lead Bromide, MAPbBr<sub>3</sub>
Hybrid Perovskite at Full Tilt: Structure and Symmetry Relations of the Incommensurately Modulated Phase of Methylammonium Lead Bromide, MAPbBr<sub>3</sub> Open
As energy-conversion materials, organic–inorganic hybrid perovskites remain a research- and finance-intensive topic. However, even for the arguably most iconic representatives, methylammonium and formamidinium lead halides, the crystal str…