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Prospect for Bismuth/Antimony Chalcohalides‐Based Solar Cells
Inorganic–organic hybrid lead halide perovskites are emerging optoelectronic materials for
solar cell application. However, the toxicity concerns and poor stability largely hamper their …
solar cell application. However, the toxicity concerns and poor stability largely hamper their …
Tunable photocatalytic and optoelectronic properties of SiTe/SiH heterostructure as a photocatalytic water splitting with high hydrogen production
The development of appropriate photocatalysts based on semiconductors is crucial for
overcoming energy and environmental challenges. Especially, photocatalysts of water …
overcoming energy and environmental challenges. Especially, photocatalysts of water …
Two-dimensional Janus antimony chalcohalides for efficient energy conversion applications
Specific functionalities at the nanoscale can emerge from the broken inversion symmetry in
two-dimensional (2D) Janus monolayers. In this work, we employed the first-principles …
two-dimensional (2D) Janus monolayers. In this work, we employed the first-principles …
Surface modification of XSe (X= Cu and Ag) monolayers by grope 1 elements: A metal to semiconductor transition by a first-principles perspective
Abstract Two-dimensional (2D) materials can be effectively functionalized by chemically
modified using do**. Very recently, a flat AgSe monolayer was successfully prepared …
modified using do**. Very recently, a flat AgSe monolayer was successfully prepared …
Strain-induced changes in the electronic, optical and mechanical properties of the inorganic cubic halide perovskite Sr3PBr3 with FP-DFT
In recent years, inorganic perovskite materials have garnered significant attention in solar
technology due to their outstanding structural, optical, mechanical, and electronic properties …
technology due to their outstanding structural, optical, mechanical, and electronic properties …
High hydrogen production in two-dimensional GaTe/ZnI2 type-II heterostructure for water splitting
In this work, first-principles calculation was used to systematically examine the structural,
electronic, and optical properties of the GaTe/ZnI 2 heterostructure under the biaxial strain …
electronic, and optical properties of the GaTe/ZnI 2 heterostructure under the biaxial strain …
As-based ternary Janus monolayers for efficient thermoelectric and photocatalytic applications
Highly efficient and sustainable energy resources are in great demand today to combat
environmental pollution and the energy crisis. In this study, we examined the novel 2D …
environmental pollution and the energy crisis. In this study, we examined the novel 2D …
Electronic Performance and Schottky Contact of 2D GeH/InSe and GeH/In2Se3 Heterostructures: Strain Engineering and Electric Field Tunability
Recent exciting developments in synthesis and properties study of the germanane (GeH)
mono‐layer have inspired us to investigate the structural and electronic properties of the van …
mono‐layer have inspired us to investigate the structural and electronic properties of the van …
Tunable optoelectronic, thermoelectric, and photocatalytic properties of β-SiTe and SiH monolayers as a photocatalytic water-splitting
One of the most interesting study areas in the renewable energy production is highly efficient
water splitting that relies on the solar energy. More promising photocatalysts which can …
water splitting that relies on the solar energy. More promising photocatalysts which can …
Unravelling the thermoelectric properties and suppression of bipolar effect under strain engineering for the asymmetric Janus SnSSe and PbSSe monolayers
Inspired by the groundbreaking discovery of the two-dimensional (2D) MoSSe materials, the
electronic, thermal, and thermoelectric properties of asymmetric Janus SnSSe and PbSSe …
electronic, thermal, and thermoelectric properties of asymmetric Janus SnSSe and PbSSe …