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Open AccessArticle

Transition Metal-Hyperdoped InP Semiconductors as Efficient Solar Absorber Materials

1
Instituto de Energía Solar, ETSI Telecomunicación, Universidad Politécnica de Madrid, Ciudad Universitaria, s/n, 28040 Madrid, Spain
2
Departamento de Tecnología Fotónica y Bioingeniería, ETSI Telecomunicación, Universidad Politécnica de Madrid, Ciudad Universitaria, s/n, 28040 Madrid, Spain
3
Departamento de Física aplicada a las Ingenierías Aeronáutica y Naval, ETSI Aeronáutica y del Espacio, Universidad Politécnica de Madrid, Pz. Cardenal Cisneros, 3, 28040 Madrid, Spain
*
Author to whom correspondence should be addressed.
Nanomaterials 2020, 10(2), 283; https://doi.org/10.3390/nano10020283
Received: 14 January 2020 / Revised: 3 February 2020 / Accepted: 4 February 2020 / Published: 7 February 2020
(This article belongs to the Section Energy and Catalysis)
This work explores the possibility of increasing the photovoltaic efficiency of InP semiconductors through a hyperdoping process with transition metals (TM = Ti, V, Cr, Mn). To this end, we investigated the crystal structure, electronic band and optical absorption features of TM-hyperdoped InP ([email protected]), with the formula TMxIn1-xP (x = 0.03), by using accurate ab initio electronic structure calculations. The analysis of the electronic structure shows that TM 3d-orbitals induce new states in the host semiconductor bandgap, leading to improved absorption features that cover the whole range of the sunlight spectrum. The best results are obtained for [email protected], which is an excellent candidate as an in-gap band (IGB) absorber material. As a result, the sunlight absorption of the material is considerably improved through new sub-bandgap transitions across the IGB. Our results provide a systematic and overall perspective about the effects of transition metal hyperdoping into the exploitation of new semiconductors as potential key materials for photovoltaic applications. View Full-Text
Keywords: transition metal-hyperdoped; InP; photovoltaic; DFT; GW; in-gap band transition metal-hyperdoped; InP; photovoltaic; DFT; GW; in-gap band
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MDPI and ACS Style

García, G.; Sánchez-Palencia, P.; Palacios, P.; Wahnón, P. Transition Metal-Hyperdoped InP Semiconductors as Efficient Solar Absorber Materials. Nanomaterials 2020, 10, 283.

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