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Inorganic semiconductors based on heavy pnictogen cations (Sb3+ and Bi3+) have gained significant attention as potential nontoxic and stable alternatives to lead-halide perovskites for solar cell applications. A limitation of these novel…
We report density functional studies of electron rich interfaces between KTaO3 or KNbO3 and CaSnO3 or ZnSnO3 and in particular the nature of the interfacial electron gasses that can be formed. We find that depending on the details these may…
While perovskite solar cells (PSCs) are now reaching high power conversion efficiencies (PCEs), further performance improvement requires a fine management and an optimization of the light pathway and harvesting in the cells. These go…
Materials with low work functions are critical for an array of applications requiring the facile removal or efficient transport of electrons through a device. Perovskite oxides are a promising class of materials for finding low work…
Recent observations indicated that the photoelectric conversion properties of perovskite materials are intimately related to the presence of superlattice structures and other unusual nanoscale features in them. The low dimensional or mixed…
Scanning nanofocus X-ray diffraction (nXRD) performed at a synchrotron is used for the first time to simultaneously probe the morphology and the structural properties of spin-coated CH3NH3PbI3 (MAPI) perovskite films for photovoltaic…
Lead poisoning and notorious ambient instability in lead-based halide perovskites pave the way for the exploration of alternative materials for affordable and efficient solar cell fabrication. An important prerequisite to this end is the…
Perovskite solar cells (PSCs) have emerged as strong contenders for the next generation of photovoltaic (PV) technologies due to their exceptional light absorption properties, tunability, and affordability in manufacturing. Here, we…
Kesterite is a leading candidate among inorganic thin-film photovoltaic technologies, offering sustainable and environmentally friendly solutions without reliance on critical raw materials. This study investigates the performance of…
In order to investigate the interface termination dependence of perovskite band alignments, we have studied the Schottky barrier height at La$_{0.7}$Sr$_{0.3}$MnO$_3$/Nb:SrTiO$_3$ (001) heterointerfaces. As the Nb:SrTiO$_3$ semiconductor…
Metal halide perovskites have emerged as an exciting class of materials for applications in solar energy harvesting, optical devices, catalysis, and other photophysical applications. Many of the exciting properties of halide perovskites are…
The Schottky barrier heights (SBHs) of defect-free interfaces of ZnO, CdO, MgO and SrO with various metals and different terminations are investigated by density functional supercell calculations. The oxide bands are corrected for their…
Halide perovskite-based photodiodes are promising for efficient detection across a broad spectral range. Perovskite absorber thin-films have a microcrystalline morphology, characterized by a high density of surface states and defects at…
We report a first-principles study of Bi-based 3$d$-5$d$ ordered double perovskite oxides (A$_2$BB$^\prime$O$_6$) with a 3$d$ atom (Fe) at the B-site and 5$d$ atoms (Re,Ir) at the B$^\prime$-site while keeping highly polarizable ions…
Ferromagnetic insulating (FMI) double perovskite oxides (DPOs) $A_2BB'$O$_6$ with near-room-temperature Curie temperatures are promising candidates for ambient-temperature spintronics applications. To realize their potential, epitaxial…
Metal halide perovskites are promising materials for optoelectronic applications owing to their outstanding optical and electronic properties. Among them, all-inorganic perovskites such as CsPbBr$_3$ offer superior thermal and chemical…
Carrier selective (CS) silicon solar cells are increasingly explored using a variety of different materials. However, the optimum properties of such CS materials are not well understood. In this context, through detailed analytical and…
Ion and metal diffusion in metal halide perovskites, charge-transporting layers, and electrodes are detrimental to the performance and stability of perovskite-based photovoltaic devices. As a result, there is an intense research interest in…
We report the impact of capping layers on vanadate based transparent conductive oxides (TCOs) to prolong the thermal stability with a minimal loss of resistivity during heat treatment in ambient environment. In the present study, various…
Solar cells based on inorganic perovskite CsPbI3 are promising candidates to resolve the challenge of operational stability in the field of perovskite photovoltaics. For stable operation, however, it is crucial to thoroughly understand the…