The materials Fe₂(Si,Ge)(S,Se)₄, Cu₃PS[subscript 4-x]Se[subscript x] (0 ≤ x ≤ 4), and Cu₃PxAs[subscript 1-x]S₄ (0 ≤ x ≤ 1) have been synthesized and studied as new earth-abundant absorbers for single and multijunction photovoltaic cells as well as solar fuel generation. The synthesis, single-crystal growth, and optical and electrical properties of...
A new approach to the discovery of high absorbing semiconductors for solar cells was taken by working under a set of design principles and taking a systemic methodology. Three transition metal chalcogenides at varying states of development were evaluated within this framework. Iron pyrite (FeS₂) is well known to demonstrate...
BiCuOSe and SnS are layered, moderate band gap (ε[subscript G] ≈ 1 eV) semiconductors that exhibit intrinsic p type conductivity. Doping of BiCuOSe with Ca results in a slight expansion of the lattice and an increase of the hole concentration from 10¹⁸ cm⁻³ to greater than 10²⁰ cm⁻³. The large...
The atomic solid state energy (SSE) scale is introduced as a tool for inorganic materials design. The SSE scale is obtained by assessing an average electron affinity (EA) (for a cation) or an average ionization potential (IP) (for an anion) for each atom using data from compounds having that specific...
A scalable synthesis of the "flat" tridecameric inorganic cluster [Al₁₃(μ₃-OH)₆(μ-OH)₁₈(H₂O)₂₄]¹⁵⁺ has been realized by treating an aqueous aluminum nitrate solution with zinc-metal powder at room temperature. Single crystals and polycrystalline samples are readily obtained in yields exceeding 55% relative to the starting reagent Al(NO₃)₃. Products have been characterized by X-ray...
The p-type semiconductor Cu₃PSe₄ has recently been established to have a direct band gap of 1.4 eV and an optical absorption spectrum similar to GaAs [Foster et al., Appl. Phys. Lett. 99, 181903 (2011)], suggesting a possible application as a solar photovoltaic absorber. Here we calculate the thermodynamic stability, defect...
Charge transport in a semiconductor structure with heterojunction is described by a multiscale partial differential equation model. This model can be used, e.g., for the design of more efficient solar cells. Phenomena at the heterojunction must be resolved at the angstrom scale while the size of the device is that...
Emergence of a terawatt scalable photovoltaic (PV) thin film technology is currently impeded by
the limited supply of relatively rare elements like In or Te, which has spurred active research in
recent years on earth-abundant PV materials. Instead of searching for alternative PV materials,
we approach the problem here by...