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Two-dimensional transition metal dichalcogenides are promising candidates for ultrathin optoelectronic devices due to their high absorption coefficients and intrinsically passivated surfaces. To maintain these near-perfect surfaces, recent…
Improving the conversion efficiency of solar energy to electricity is most important to mankind. For single-junction photovoltaic solar-cells, the Shockley-Queisser thermodynamic efficiency limit is extensively due to the heat dissipation,…
Solar energy conversion to produce electricity using photovoltaics is an emerging area in alternative energy research. Herein, we report on the basis of density functional calculations, phosphorene/AsP heterostructure could be a promising…
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…
We calculate the finite temperature compressibility for two-dimensional semiconductor systems, monolayer graphene, and bilayer graphene within the Hartree-Fock approximation. We find that the calculated temperature dependent compressibility…
We describe strategies to estimate the upper limits of the efficiency of photon energy harvesting via hot electron extraction from gapless absorbers. Gapless materials such as noble metals can be used for harvesting the whole solar…
Heterojunction Si solar cells exhibit notable performance degradation. We developed the SolDeg platform to model this degradation as electronic defects getting generated by thermal activation across energy barriers over time. First,…
The industrial realization of graphene has so far been limited by challenges related to the quality, reproducibility, and high process temperatures required to manufacture graphene on suitable substrates. We demonstrate that epitaxial…
Antimony selenide (Sb2Se3) is at the forefront of an emerging class of sustainable photovoltaic materials. Despite notable developments over the past decade, the light-to-electricity conversion efficiency of Sb2Se3 has reached a plateau of…
Electronic properties of bilayer and multilayer graphene have generally been interpreted in terms of AB or Bernal stacking. However, it is known that many types of stacking defects can occur in natural and synthetic graphite; rotation of…
Hot carrier solar cells allow potential efficiency close to the thermodynamical limit in ideal conditions. However, the feasability of such devices has not been clearly stated so far and only ideal cells were considered in previous studies.…
To obtain significant increases in the Power Conversion Efficiency (PCE) of solar cells, future cell research and development should be based on the concomitant improvement of multiple material properties, rather than on the…
The performance of nanoscale electronic devices based on a two-three dimensional (2D-3D) interface is significantly affected by the electrical contacts that interconnect these materials with external circuitry. This work investigates charge…
Elemental selenium is a promising wide-bandgap ($E_\mathrm{G}\approx$ 1.95 eV) photovoltaic material for the next generation of thin-film solar cells. To realize high-efficiency selenium solar cells, it is crucial to optimize the…
The Seebeck coefficient in multilayer graphene is investigated within the density-functional theory, using the semiclassical Boltzmann equations and interpolating the bands in a maximally-localized Wannier functions basis set. We compare…
Thermoelectric devices that utilize the Seebeck effect convert heat flow into electrical energy and are highly desirable for the development of portable, solid state, passively-powered electronic systems. The conversion efficiencies of such…
In the pursuit of developing routes to enhance magnetic Kitaev interactions in {\alpha}-RuCl3, as well as probing doping effects, we investigate the electronic properties of {\alpha}-RuCl3 in proximity to graphene. We study…
We have computed the electronic and hole spectra of a 3D superlattice consisting of layers of GaAs rods of finite height arranged in a hexagonal lattice and embedded in an AlGaAs matrix, alternating with spacer layers of homogeneous AlAs.…
The P+ {\alpha}-Si /N+ polycrystalline solar cell is molded using the AMPS-1D device simulator to explore the new high efficiency thin film poly-silicon solar cell. In order to analyze the characteristics of this device and the thickness of…
Since the strong interlayer interaction of AB-stacked graphene in bulk form degrades the superior property of single-layer graphene, formation of randomly stacked graphene is required to apply the high performances of graphene to…