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Since the photoconversion efficiency $\eta$ of the silicon-based solar cells (SCs) under laboratory conditions is approaching the theoretical fundamental limit, further improvement of their performance requires theoretical modeling and/or…
Thin film oxides are a source of endless fascination for the materials scientist. These materials are highly flexible, can be integrated into almost limitless combinations, and exhibit many useful functionalities for device applications.…
The requirement for low operational voltage in electrowetting devices, met using thin dielectrics, is usually connected with serious material failure issues. Dielectric breakdown (visible as electrolysis) is frequently evident slightly…
Catalysis at solid-liquid interfaces plays a central role in the advancement of energy storage and sustainable chemical production technologies. By enabling accurate, long-time scale simulations, machine learning (ML) models have the…
Despite the promising optoelectronic properties of methylammonium lead iodide (MAPbI3)-based perovskite solar cells (PSCs), their commercial viability is hindered by interfacial energy misalignment, suboptimal light absorption, and thermal…
Two-dimensional transition metal-dichalcogenides are emerging as efficient and cost-effective electrocatalysts for hydrogen evolution reaction (HER). However, only the edge sites of their trigonal prismatic phase show HER-electrocatalytic…
All solid state batteries are claimed to be the next-generation battery system, in view of their safety accompanied by high energy densities. A new advanced, multiscale compatible, and fully three dimensional model for solid electrolytes is…
The development of novel electrolytes and electrodes for supercapacitors is hindered by a gap of several orders of magnitude between experimentally measured and theoretically predicted charging timescales. Here, we propose an electrode…
Low-carbon dispatchable power underpins a sustainable energy system, providing load balancing complementing wide-scale deployment of intermittent renewable power. In this new context, fossil fuel-fired power plants must be coupled with a…
Transition-edge sensors (TESs) are capable of highly accurate single particle energy measurement. TESs have been used for a wide range of photon detection applications, particularly in astronomy, but very little consideration has been given…
Ever science the invention of solar cells, thermodynamics has been used to assess their performance limits, guiding advances in materials science and photovoltaic technology to reduce the gap between the practical efficiencies and the…
Large-scale energy storage has become an inevitable solution for integrating stochastically available renewable energy sources into the electric grid. Vanadium redox flow batteries offer a viable option among other technologies, due to…
High overpotentials, particularly an issue of common anode materials, hamper the process of water electrolysis for clean energy generation. Thanks to immense research efforts up to date oxygen evolution electrocatalysts based on…
Energetic disorder has been known for decades to limit the performance of structurally disordered semiconductors such as amorphous silicon and organic semiconductors. However, in the past years, high performance organic solar cells have…
Estimating the state of charge (SOC) of compound energy storage devices in the hybrid energy storage system (HESS) of electric vehicles (EVs) is vital in improving the performance of the EV. The complex and variable charging and discharging…
Implicit solvation is an effective, highly coarse-grained approach in atomic-scale simulations to account for a surrounding liquid electrolyte on the level of a continuous polarizable medium. Originating in molecular chemistry with finite…
Organic Light Emitting Diodes (OLED) have experienced vast attention in the scientific literature as the leading contender for the next generation of electronic lighting technology. However, while research continues to push the limit for…
Transition metal oxides (TMOs) like MoOx are increasingly explored as hole transport layers for perovskite-based solar cells. Due to their large work function, the hole collection mechanism of such solar cells are fundamentally different…
Solid-state cooling is an environmentally friendly and highly scalable technology that may solve most of the problems associated with current refrigerant methods. Solid-state cooling consists of applying external fields on caloric…
Breaking the memory wall in advanced computing architectures will require complex 3D integration of emerging memory materials such as ferroelectrics-either within the back-end-of-line (BEOL) of CMOS front-end processes or through advanced…