Graduate Thesis Or Dissertation

 

Atomic solid state energy scale applied to novel thin-film solar absorbers 公开 Deposited

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https://ir.library.oregonstate.edu/concern/graduate_thesis_or_dissertations/z316q537d

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  • 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 atom as a constituent. When EA and IP of the 135 compounds within the SSE data base are plotted as a function of the band gap (E[subscript G]), E[subscript G] is roughly centered about the hydrogen donor / acceptor ionization energy ε(+/-), at an energy of -4.5 eV with respect to the vacuum level. Thus, ε(+/-), or equivalently the standard hydrogen electrode (SHE) energy, functions as an absolute energy reference for establishing the chemical bonding behavior for solid state inorganic compounds. SSE values are estimated for 53 elements from s-, p-, d- and f-blocks of the periodic table. The SSE scale is shown to be related to electronegativity, chemical hardness, and ionicity and to provide insight into the nature of multivalent elemental behavior, semiconductor impurity doping, and solid state chemical bonding As an example of its utility, the SSE scale is employed as a screening tool for selecting elements for thin-film solar cell (TFSC) absorber applications. Thin-film synthesis and electrical/optical characterization of FeS₂, Fe₂GeS₄, Fe₂SiS₄, CuSbS₂, Cu₃SbS₄, and MnSe₂ is undertaken in order to investigate their potential as TFSC absorbers. These studies indicate that low-valence cation, Cu-based absorbers, such as CuSbS₂ and Cu₃SbS₄, appear promising for TFSC absorber applications.
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