Related papers: Optimizing accuracy and efficacy in data-driven ma…
The formation and disassociation of excitons plays a crucial role in any photovoltaic or photocatalytic application. However, excitonic effects are seldom considered in materials discovery studies due to the monumental computational cost…
In the rapidly growing field of wearable technology, optical devices are emerging as a significant innovation, offering non-invasive methods for analyzing skin and underlying tissue properties. Despite their promise, progress has been…
Photocatalytic water splitting is a promising renewable energy source as an alternative for limited fossil fuels. The effectiveness of the conversion from solar energy to hydrogen fuel relies primarily on the material. Previously,…
Metal superhydrides, known for their high hydrogen content and polyhedral hydrogen cages, are promising candidates for high-temperature superconductivity. Recent research has emphasized "chemical pre-compression," enabling hydrogen…
High-temperature electrolysis (HTE) is a promising technology for achieving high-efficiency power-to-gas, which mitigates the renewable curtailment by transforming wind or solar energy into fuels. Different from low-temperature…
Hydrogen bonding interactions with chromophores in chemical and biological environments play a key role in determining their electronic absorption and relaxation processes, which are manifested in their linear and multidimensional optical…
Efficient discovery of electrocatalysts for electrochemical energy conversion reactions is of utmost importance to combat climate change. With the example of the oxygen reduction reaction we show that by utilising a data-driven discovery…
In conventional solar cell semiconductor materials (predominantly Si) photons with energy higher than the band gap initially generate hot electrons and holes, which subsequently cool down to the band edge by phonon emission. Due to the…
We compile data and machine learned models of solid Li-ion electrolyte performance to assess the state of materials discovery efforts and build new insights for future efforts. Candidate electrolyte materials must satisfy several…
Combining multi-spectral satellite data and machine learning has been suggested as a method for monitoring plastic pollutants in the ocean environment. Recent studies have made theoretical progress regarding the identification of marine…
Especially in regions with high solar irradiation, photocatalysis presents a promising low-cost "green" hydrogen production option. Thus, this paper analyzes impacts of increasing photocatalysis shares on the European energy system using an…
Band alignment, namely the prediction of band-edge positions of semiconductors and insulators in aqueous solutions, is an important problem in physics and chemistry. Such a prediction is especially challenging for structurally and…
Efficient and high capacity storage materials are indispensable for a hydrogen-based economy. In silico tools can accelerate the process of discovery of new adsorbent materials with optimal hydrogen adsorption enthalpies. Density functional…
The diverse combinations of novel building blocks offer a vast design space for hydrogen-boned frameworks (HOFs), rendering it a great promise for gas separation and purification. However, the underlying separation mechanism facilitated by…
Photovoltaics (PV) are widely used to harvest solar energy, an important form of renewable energy. Photovoltaic arrays consist of multiple solar panels constructed from solar cells. Solar cells in the field are vulnerable to various…
Discovery of high-performance materials remains one of the most active areas in photovoltaics (PV) research. Indirect band gap materials form the largest part of the semiconductor chemical space, but predicting their suitability for PV…
Accurate solar power forecasting is crucial to integrate photovoltaic plants into the electric grid, schedule and secure the power grid safety. This problem becomes more demanding for those newly installed solar plants which lack sufficient…
Hydrogen production is a vital process in the quest for decarbonization and a sustainable future. This conversation explores the various technologies used in hydrogen production, such as steam methane reforming, electrolysis, and biomass…
The clean production of hydrogen as a zero-emission fuel can be done using photocatalysis, with TiO2 being one of the most promising photocatalysts. However, the activity of TiO2 anatase and rutile phases is still limited. In this study, an…
Integrated Silicon photonics has played an important role in advancing the applications of quantum information and quantum science. However, due to different material properties, it is challenging to integrate all components with excellent…