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Two-dimensional (2D) Janus materials show great promise as piezoelectric materials and photocatalysts for water splitting. In this work, we systematically investigated the piezoelectric and photocatalytic properties of the hexagonal Janus…
By using a first-principles approach, monolayer PbI$_2$ is found to have great potential in thermoelectric applications. The linear Boltzmann transport equation is applied to obtain the perturbation to the electron distribution by different…
Lead and tin chalcogenides have been studied widely due to their promising thermoelectric (TE) properties. Further enhancement in their TE efficiency has been reported upon the reduction of the dimension, which is an important feature in…
Chemical activation of the intrinsically inert basal planes of transition metal dichalcogenides (TMDs) is crucial for developing high-efficiency electrocatalysts for energy technology applications. Here we report the discovery of an…
Photocatalysis in atomically thin semiconductors is often limited by rapid electron-hole recombination, making it difficult to translate favorable band structures into efficient chemical function. Here we propose symmetry-defined periodic…
Contemporary science is witnessing a rapid expansion of the two-dimensional (2D) materials family, each member possessing intriguing emergent properties of fundamental and practical importance. Using the particle-swarm optimization method…
Transition metal dichalcogenides (TMDs) exist in various crystal structures with semiconducting, semi-metallic, and metallic properties. The dynamic control of these phases is of immediate interest for next generation electronics such as…
The splitting of water with sunlight using photoelectrochemical cell (PEC) to produce hydrogen is a promising avenue for sustainable energy production. The greatest virtue of PEC is that it uses sunlight as the only source to split water,…
Layered transition metal dichalcogenide semiconductors are interesting for photovoltaics owing to their high solar absorbance and efficient carrier diffusion. Tungsten diselenide (WSe$_2$), in particular, has emerged as a promising solar…
Thin-film solar cells that are considered as the second generation of solar cells are known for their low cost and acceptable efficiency. In this technology, semiconductor layers with a thickness of micrometer are deposited on thick enough…
Recently, topological quantum materials have emerged as a promising electrocatalyst for hydrogen evolution reaction (HER). However, most of their performance largely lags behind noble metals such as benchmark platinum (Pt). In this work, a…
Photoelectrochemical (PEC) water splitting to generate hydrogen is one of the most studied methods for converting solar energy into clean fuel because of its simplicity and potentially low cost. Despite over 40 years of intensive research,…
A systematic survey and subsequent research have been made on MoTe2-based n-CdS/p-MoTe2/p+-CGS device in solar cell and photodetector field. The optimization has been established by altering the various properties of each constituent layer…
Now-a-days, the development of clean and green energy sources is the prior interest of research due to increasing global energy demand and extensive usage of fossil fuels that create pollutants. Hydrogen has the highest energy density by…
Converting solar energy into chemical energy by splitting water is a promising means to generate a sustainable and renewable solution without detrimental environmental impact. The two-dimensional semiconductors serve as potential catalysts…
Solar water splitting provides a promising path for sustainable hydrogen production and solar energy storage. One of the greatest challenges towards large-scale utilization of this technology is reducing the hydrogen production cost. The…
Metal sulfides are emerging as an important class of materials for photocatalytic applications, because of their high photo responsive nature in the wide visible light range. CdS in this class of materials, have a direct band gap of 2.4 eV,…
The ideal band gap for a photovoltaic active layer for the solar spectrum is around 1.3 eV. However oxides with such values are rare. One of the most studied oxides to date as a photovoltaic active layer is the cuprous oxide Cu2O. Its band…
A coupled optoelectronic model was implemented along with the differential evolution algorithm to assess the efficacy of grading the bandgap of the CZTSSe layer for enhancing the power conversion efficiency of thin-film CZTSSe solar cells.…
Light element based two dimensional (2D) materials are promising photocatalysts for hydrogen production via water splitting. Boron oxide (BO) is a recently synthesized 2D monolayer which has yet to be thoroughly explored for its potential…