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Adequate characterization of two-dimensional materials with low energy barriers for impurity adsorption is key for advancing applications based on catalysis, sensing, and surface functionalization. However, first-principles methods, such as…
Hydrogen has been identified as a clean, zero carbon, sustainable, and promising energy source for the future, and electrochemical water splitting for hydrogen production is an emission-free, efficient energy conversion technology. A major…
Solar energy is rapidly becoming a robust renewable energy source to conventional finite resources such as fossil fuels. It is harvested using interconnected photovoltaic panels, typically built with crystalline silicon cells, i.e.…
This investigation demonstrates that the pentagonal PdTe2 (penta-PdTe2) monolayer is a highly tunable two-dimensional (2D) photocatalyst, characterized by the bandgap of 1.75 eV and high hole mobility. Using density functional theory…
We present a high-accuracy procedure for electronic structure calculations of strongly correlated materials. To address limitations in current electronic structure methods, we employ density functional theory in combination with the…
Due to the stochastic nature of photovoltaic (PV) power generation, there is high demand for forecasting PV output to better integrate PV generation into power grids. Systematic knowledge regarding the factors influencing forecast accuracy…
Entanglement is a powerful concept with an enormous potential for scientific and technological advances. A central focus in modern research is to extend the generation and control of entangled states from few to many qubits, and protect…
To ensure energy efficiency and reliable operations, it is essential to monitor solar panels in generation plants to detect defects. It is quite labor-intensive, time consuming and costly to manually monitor large-scale solar plants and…
Large scale production of hydrogen by electrochemical water splitting is considered as a promising technology to address critical energy challenges caused by the extensive use of fossil fuels. Although nonprecious nickel-based catalysts…
Harnessing natural evaporation offers a sustainable and untapped pathway for next-generation energy technologies. Here, we present a unified physical and experimental framework for evaporation-driven hydrovoltaic (EDHV) systems that…
Microalgae are an abundant bioorganic material source and play a significant role in life on Earth by conducting photosynthesis for carbon dioxide (CO2) capture and its conversion to oxygen (O2). In this study, a combination of microalgae…
Accurate monitoring of the hydrogen concentration is critical for optimizing fuel cell performance, minimizing purge losses, and reducing long-term degradation. Conventional hydrogen sensors often rely on catalytic materials and face…
Driven by machine-learning tasks neural networks have demonstrated useful capabilities as nonlinear hypothesis classifiers. The underlying technologies performing the dot product multiplication, the summation, and the nonlinear thresholding…
Hybrid organic-inorganic halide perovskites have emerged as a disruptive new class of materials, exhibiting optimum properties for a broad range of optoelectronic applications, most notably for photovoltaics. The first report of highly…
The growing need for structural materials with strength, mechanical stability, and durability in extreme environments is driving the development of high entropy alloys. These are materials with near equiatomic mixing of five or more…
In this work, we present a novel artificial photosynthetic paradigm with square meter (m2) level scalable production by integrating photovoltaic electrolytic water splitting device and solar heating CO2 hydrogenation device, successfully…
Hydrogen-based compounds under ultra-high pressure, such as the polyhydrides H$_3$S and LaH$_{10}$, superconduct through the conventional electron-phonon coupling mechanism to attain the record critical temperatures known to date. We…
Photocatalytic water splitting has attracted considerable attention for renewable energy production. Since the first reported photocatalytic water splitting by titanium dioxide, this material remains one of the most promising…
Recent advances in materials informatics have expanded the number of synthesizable materials. However, screening promising candidates, such as semiconductors, based on defect properties remains challenging. This is primarily due to the lack…
Green hydrogen production by water electrolysis using renewable electricity is considered essential for decarbonisation of certain sectors of the global economy, however development of the industry is lagging behind expectations due to the…