Using lab-based operando X-ray and post-mortem techniques, researchers visualize the origins of electrochemical capacity fade under high-voltage conditions in pilot line single-crystalline LiNi${}_{0.8}$Mn${}_{0.1}$Co${}_{0.1}$O${}_2$-graphite cells.

Computational materials design is combined with synthesis and electrochemical characterization to propose nine oxide semiconductors as water-splitting photocatalysts.

Experiment and device simulation are combined to explore a monolithically integrated selenium/silicon tandem solar cell, offering insights toward positioning tandem solar cells as strong contenders for photovoltaic technologies.

This Perspective considers current-voltage hysteresis across a wide range of systems, including photovoltaics, memristors, and ion-conducting channels, and finds that all exhibit one of two primary hysteresis types.

Fully autonomous discovery of new materials could rapidly accelerate the development of better batteries, solar cells, high-power electronics, and more. This Perspective highlights current limitations in the autonomous identification of truly new materials and identifies bottlenecks where attention should be focused.

Using neutrons and x-rays, along with large-scale molecular dynamics simulations that incorporate machine learning, the authors report the liquid structure of 2LiF-BeF${}_2$, a molten salt for next-generation nuclear reactors.

By introducing a “One Hectare Country” model that supports a fully sustainable European-like lifestyle for one person, the authors find that the size is at least a factor of two too small; huge land areas are required to maintain the assumed standard of living with fully renewable energy.

By combining experiment and theory, this study unveils a direct link between the electronic states in metal hydrides and their enthalpy of formation, advancing our understanding and potential applications in energy materials, catalysis, and gas storage.

Using lab-based operando X-ray and post-mortem techniques, researchers visualize the origins of electrochemical capacity fade under high-voltage conditions in pilot line single-crystalline LiNi${}_{0.8}$Mn${}_{0.1}$Co${}_{0.1}$O${}_2$-graphite cells.

In a shift towards renewable energy, power grids are going through significant transformations. Here, the authors employ analytical tools from various fields to unveil a universal model that, despite its simplicity, robustly captures the complexities of the entire grid.

Experiment and theory suggest that Sb${}_2$Se${}_3$ is intrinsically tolerant to defects at grain boundaries, a key requirement for highly efficient thin-film photovoltaics.

Computational materials design is combined with synthesis and electrochemical characterization to propose nine oxide semiconductors as water-splitting photocatalysts.

Thermochemical equilibria are predicted for water splitting redox processes for Sr-Ce-Mn oxide alloys by combining a first principles simulations study with a statistical mechanics-based approach.

A quantum-mechanical model of tribovoltaics is developed and numerically verified, providing an understanding of direct current generation at a sliding $p-n$ semiconductor interface.

To benefit material selection and design of solid electrolytes for high-energy-density batteries, molecular simulations are combined with in situ experiments to understand and provide guidance for achieving stable electrodeposition.

This work presents a versatile and efficient mathematical framework for analyzing the stability of a decentralized renewable power grid, allowing rapid benchmarking of control system prototypes.

Using ab initio calculations, mechanical properties of promising cathode materials are systematically assessed toward guiding the development of robust and reliable lithium ion batteries.

Experiment and device simulation are combined to explore a monolithically integrated selenium/silicon tandem solar cell, offering insights toward positioning tandem solar cells as strong contenders for photovoltaic technologies.

Using neutron and x-ray scattering complemented by advanced simulations, this study explores the structure and dynamics of Cs${}_2$AgBiBr${}_6$ and provides insight into electron-phonon and phonon-phonon couplings that dictate this material’s optoelectronic and thermal properties.