Feasibility of band gap engineering of pyrite FeS2
نویسندگان
چکیده
منابع مشابه
Feasibility of band gap engineering of pyrite FeS
Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use. The MIT Faculty has made this article openly available. Please share how this access benefits you. Your story matters. We use first-principles computations to investigate whether the band gap of pyrite FeS 2 can be increased by alloyi...
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Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use. The MIT Faculty has made this article openly available. Please share how this access benefits you. Your story matters. With its combination of favorable band gap, high absorption coefficient, material abundance, and low cost, iron pyr...
متن کاملBand gap engineering of FeS2 under biaxial strain: a first principles study.
The promising photovoltaic activity of pyrite (FeS2) is attributed to its excellent optical absorptivity and earth abundance, but its band gap, 0.95 eV, is slightly lower than the optimum value of 1.3 eV. Here we report the first investigation of strained FeS2, whose band gap can be increased by ∼0.3 eV. The influence of uniaxial and biaxial strains on the atomic structure as well as the electr...
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We have investigated the interaction of nitrogen with single-crystal iron pyrite FeS(2){100} surfaces in ultra-high vacuum. N(2) adsorbs molecularly at low temperatures, desorbing at 130 K, but does not adsorb dissociatively even at pressures up to 1 bar. Atomic surface N can, however, be obtained with nitrogen ions and/or excited neutral species, generated by passing N(2) through an ion gun. S...
متن کاملSymmetry-Defying Iron Pyrite (FeS2) Nanocrystals through Oriented Attachment
Iron pyrite (fool's gold, FeS₂) is a promising earth abundant and environmentally benign semiconductor material that shows promise as a strong and broad absorber for photovoltaics and high energy density cathode material for batteries. However, controlling FeS₂ nanocrystal formation (composition, size, shape, stoichiometry, etc.) and defect mitigation still remains a challenge. These problems r...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2011
ISSN: 1098-0121,1550-235X
DOI: 10.1103/physrevb.84.245211