arXiv subjects

Rasmus S. Nielsen

Publications and source records attributed to Rasmus S. Nielsen.

3 recordsLinked to original sources

arXiv2026

The Reemergence of Selenium Solar Cells

Selenium, the world's oldest photovoltaic material, has experienced a renaissance in research over the past decade, with certified solar cell efficiencies climbing from the historical record of 5% to breaking the 10% barrier. Its wide bandgap makes it a particularly interesting candidate for tandem solar cells and indoor photovoltaic applications, yet despite steadily improving the carrier collection, devices consistently suffer from a substantial open-circuit voltage deficit. This review provides a critical analysis of the material properties and optoelectronic quality of state-of-the-art selenium thin films. Published results from independent groups are digitized and directly compared, collectively painting a comprehensive picture of the carrier dynamics, supported and contextualized by drift-diffusion simulations. Strategies for synthesizing and processing selenium thin films are also examined in detail, highlighting not only best practices but also the underlying crystal growth kinetics that ultimately govern material quality. Finally, a series of open questions and challenges is presented, spanning from fundamental materials science and atomic-scale defect physics to device-level engineering, providing a roadmap to unlock the intrinsic photovoltaic potential of selenium and guide the future development of higher-efficiency selenium solar cells.

cond-mat.mtrl-sci↗

arXiv2025

Parallel Exploration of the Optoelectronic Properties of (Sb,Bi)(S,Se)(Br,I) Chalcohalides

Chalcohalides are an emerging family of semiconductors with irresistible material properties, shaped by the intricate interplay between their unique structural chemistry and vibrational dynamics. Despite their promise for next-generation solar energy conversion devices, their intrinsic optoelectronic properties remain largely unexplored. Here, we focus on the (Sb,Bi)(S,Se)(Br,I) system, a subset of compounds that share the same quasi-1D crystal structure. Using a two-step physical vapor deposition (PVD) process, we synthesize the eight ternary chalcohalide compounds, demonstrating bandgaps ranging from 1.38 to 2.08 eV with sharp, single-component photoluminescence (PL) peaks. In a parallel exploration of carrier dynamics and intrinsic electron-phonon interactions -- comprehensively studied using power-, temperature-dependent, and time-resolved PL measurements -- we map their direct impact on optoelectronic performance. Supported by first-principles density functional theory (DFT) defect calculations, we establish clear structure-property relations, identifying solid-solutions engineering as an effective means to fine-tune the native phonon structures and further suppress non-radiative recombination. This study provides a blueprint for optimizing chalcohalides as high-efficiency materials across a wide range of optoelectronic applications.

cond-mat.mtrl-sci↗

arXiv2025

Spectroscopic Signatures of Structural Disorder and Electron-Phonon Interactions in Trigonal Selenium Thin Films for Solar Energy Harvesting

Selenium is experiencing renewed interest as a elemental semiconductor for a range of optoelectronic and energy applications due to its irresistibly simple composition and favorable wide bandgap. However, its high volatility and low radiative efficiency make it challenging to assess structural and optoelectronic quality, calling for advanced, non-destructive characterization methods. In this work, we employ a closed-space encapsulation strategy to prevent degradation during measurement and enable sensitive probing of vibrational and optoelectronic properties. Using temperature-dependent Raman and photoluminescence spectroscopy, we investigate grown-in stress, vibrational dynamics, and electron-phonon interactions in selenium thin films synthesized under nominally identical conditions across different laboratories. Our results reveal that short-range structural disorder is not intrinsic to the material, but highly sensitive to subtle processing variations, which strongly influence electron-phonon coupling and non-radiative recombination. We find that such structural disorder and grown-in stress likely promote the formation of extended defects, which act as dominant non-radiative recombination centers limiting carrier lifetime and open-circuit voltage in photovoltaic devices. These findings demonstrate that the optoelectronic quality of selenium thin films can be significantly improved through precise control of synthesis and post-deposition treatments, outlining a clear pathway toward optimizing selenium-based thin film technologies through targeted control of crystallization dynamics and microstructural disorder.

cond-mat.mtrl-sci↗