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As a potential solution for low-cost efficient solar cells, radial junctions consisting of ZnO nanowires arrays embedded in Cu2O thin films have been theoretically modeled. Calculations have been performed to explore the geometric…

The shape-controlled synthesis of cuprous oxide (Cu$_2$O) photocatalysts with both low or high index crystal planes has received increasing attention due to their unique facet-dependent properties. Since they are cheap and earth abundant,…

The formation of stable copper-silicide (Cu3Si) interfaces is crucial for cost-effective, high-efficiency solar cells. However, copper's diffusivity and electromigration issues pose challenges for contact stability. This study employs…

Traditional CdS buffer layer in selenium-free Cu(In,Ga)S2 solar cells leads to reduced open-circuit voltage because of a negative conduction band offset at the Cu(In,Ga)S2/CdS interface. Reducing this loss necessitates the substitution of…

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…

With the usage of two transparent electrodes, organic solar cells are semitransparent and may be combined to parallel-connected multi-junction devices or used for innovative applications like power-generating windows. A challenging issue is…

In this paper, oxidation of Cu during physical sputtering deposition in a high purity and low pressure Ar atmosphere without introducing O2 gas flow was studied systemically. It was found that various flexible Cu-based films could be…

The oxide-metal-oxide architecture is a promising approach for the development of the high-performance indium-free transparent electrode (TE), which is a key component of various optoelectronic applications such as solar cells, organic…

First-principles calculations with the full-potential linearized augmented plane-wave (FP-LAPW) method have been performed to investigate detailed electronic and linear optical properties of Sr$_{2}$CuO$_{2}$Cl$_{2}$, which is a classical…

We create a two-dimensional electron system (2DES) at the interface between EuO, a ferromagnetic insulator, and SrTiO3, a transparent non-magnetic insulator considered the bedrock of oxide-based electronics. This is achieved by a controlled…

The results of X-ray photoemission (XPS) and valence bands spectroscopy, optically stimulated electron emission (OSEE) measurements and density functional theory based modeling of graphene oxide (GO) placed on Cu via an electrophoretic…

We perform first-principles calculation to study the electronic structure of HgBa$_{2}$Ca$_{n-1}$Cu$_{n}$O$_{2n+2+x}$ copper oxides up to $n = 6$ for the undoped parent compound $(x = 0)$ and up to $n = 3$ for the doped compound $(x > 0)$…

Cuprous oxide has been conceived as a potential alternative to traditional organic hole transport layers in hybrid halide perovskite-based solar cells. Device simulations predict record efficiencies using this semiconductor, but…

Understanding mechanisms in DSSCs is fundamental for their improvement; this includes the nanocrystalline semiconducting layer behaviour. Different mesoporous TiO2 layers are fabricated and analyzed for possible use in DSSC solar cells. The…

The locally self-consistent real space multiple scattering technique has been applied to calculate the electronic structure and chemical binding for the c(2x2)O/Cu(001) system, as a function of $d_{O-Cu1}$ -- the height of oxygen above the…

Graphene has been used recently as a replacement for indium tin oxide (ITO) for the transparent electrode of an organic photovoltaic device. Due to its limited supply, ITO is considered as a limiting factor for the commercialization of…

Due to the rapid growth in the demand for high-energy-density Li batteries and insufficient global Li reserves, the anode-free Li metal batteries are receiving increasing attention. Various strategies, such as surface modification and…

Recent experiments on model catalysts have shown that Ag-Cu alloys have improved selectivity with respect to pure silver for ethylene epoxidation. In this paper we review our first-principles investigations on the (111) surface of this…

Though the common metal electrode-based perovskite solar cells have achieved a power conversion efficiency of >25%, they also play a crucial role in accelerating the degradation of the cells. In this study, we investigated phase transition…

Search for efficient materials for application in the fields of optoelectronics and photovoltaics are active areas of research across the world. The potential of compounds such as K${_3}$Cu${_3}$P${_2}$ is not yet fully realized. Therefore,…