Intermediate band position modulated by Zn addition in Ti doped CuGaS2

Abstract

Keywords

Structural and electronic properties of CuSbS2 and CuBiS2: potential absorber materials for thin-film solar cells

“…This work extends analogous computational studies of other thin film PV materials [19][20][21][22] including CZTS, 23,24 and provides a solid platform for further experimental characterisation.…”

Intermediate band solar cells: Recent progress and future directions

“…In all cases, a well formed IB could be seen around mid-gap (finding subject to the limitations of the computation then used). II-VI binaries and I-III-VI 2 ternaries have been investigated as well 198,199 with similar conclusions. Interestingly, optical transitions oscillator strength and absorption coefficients related to the different transitions could have also been computed for many of these compounds, [200][201][202] indicating that absorption coefficients in the range required for efficient IBSC operation (e.g., above 10 4 cm À1 ) could be found in these material systems.…”

Transition Metal-Hyperdoped InP Semiconductors as Efficient Solar Absorber Materials

“…The main goal of this paper is the study of the structural and electronic properties of several TM-hyperdoped InP (TM@InP) compounds in order to find new IGB materials with improved absorption features. Concretely, the selected TM were early 3d-block elements, whose ability to form an IGB has been previously demonstrated [17,20,22,23,25,26,[28][29][30][31][33][34][35][36][38][39][40][41][42][43][44]. Hence, in this work we investigate the structural, stability and electronic properties of several TM@InP (TM = Ti, V, Cr, Mn).…”

“…In addition, the IGB must meet some additional requirements to improve its photovoltaic efficiency: (i) have its own small dispersion, without it being at a discreet level; (ii) be well isolated from the VB and CB to avoid thermalization between VB and CB; (iii) be partially filled to allow comparable rates between VB-IGB and IGB-CB transitions; (iv) have high concentrations of IGB states to produce high absorption coefficients for those sub-bandgap absorptions and avoid non-radiative recombination obtained through the formation of a highly delocalized energy band [14-16]. Among the major approaches considered in designing IGB materials, our group have extensively studied the formation of an IGB through the substitutional doping of some cations by a transition metal (TM) [17][18][19][20][21][22][23][24][25][26][27][28][29][30][31][32][33][34][35][36]. In this way, the d-orbitals of the TM might be located within the bandgap of the semiconductors, allowing for the formation of an isolated energy band, while the filling of the IGB can be finetuned through the adequate selection of the TM.…”