Compound copper chalcogenide nanocrystals

C Coughlan, M Ibanez, O Dobrozhan, A Singh… - Chemical …, 2017 - ACS Publications
This review captures the synthesis, assembly, properties, and applications of copper
chalcogenide NCs, which have achieved significant research interest in the last decade due …

The GW Compendium: A Practical Guide to Theoretical Photoemission Spectroscopy

D Golze, M Dvorak, P Rinke - Frontiers in chemistry, 2019 - frontiersin.org
The GW approximation in electronic structure theory has become a widespread tool for
predicting electronic excitations in chemical compounds and materials. In the realm of …

New concepts and modeling strategies to design and evaluate photo-electro-catalysts based on transition metal oxides

P Liao, EA Carter - Chemical Society Reviews, 2013 - pubs.rsc.org
Photocatalytic production of transportation fuels should be among our long term strategies to
achieve energy and environmental sustainability for the planet, but the technology is …

Low-energy silicon allotropes with strong absorption in the visible for photovoltaic applications

S Botti, JA Flores-Livas, M Amsler, S Goedecker… - Physical Review B …, 2012 - APS
We present state-of-the-art first-principles calculations of the electronic and optical
properties of silicon allotropes with interesting characteristics for applications in thin-film …

Putting DFT to the Test: A First-Principles Study of Electronic, Magnetic, and Optical Properties of Co3O4

V Singh, M Kosa, K Majhi, DT Major - Journal of chemical theory …, 2015 - ACS Publications
First-principles density functional theory (DFT) and a many-body Green's function method
have been employed to elucidate the electronic, magnetic, and photonic properties of a …

Renormalized singles green's function in the T-matrix approximation for accurate quasiparticle energy calculation

J Li, Z Chen, W Yang - The journal of physical chemistry letters, 2021 - ACS Publications
We combine the renormalized singles (RS) Green's function with the T-matrix approximation
for the single-particle Green's function to compute quasiparticle energies for valence and …

Effect of series and shunt resistance on the photovoltaic properties of solution-processed zinc oxide nanowire based CZTS solar cell in superstrate configuration

RN Gayen, T Chakrabarti - Materials Science in Semiconductor Processing, 2019 - Elsevier
Here we report the chemical synthesis of a hetero-junction solar cell in superstrate
configuration using nanocrystalline p-type Cu 2 ZnSnS 4 (CZTS) as absorber layer, vertically …

Cr incorporation in CuGaS2 chalcopyrite: A new intermediate‐band photovoltaic material with wide‐spectrum solar absorption

P Chen, M Qin, H Chen, C Yang, Y Wang… - … status solidi (a), 2013 - Wiley Online Library
An intermediate‐band (IB) semiconductor CuGa1− xCrxS2 was investigated by the self‐
consistent many‐body GW approach (scGW) and further confirmed by the experimental …

Thin-film copper indium gallium selenide solar cell based on low-temperature all-printing process

M Singh, J Jiu, T Sugahara… - ACS applied materials & …, 2014 - ACS Publications
In the solar cell field, development of simple, low-cost, and low-temperature fabrication
processes has become an important trend for energy-saving and environmental issues …

Optical and excitonic properties of transition metal oxide perovskites by the Bethe-Salpeter equation

L Varrassi, P Liu, ZE Yavas, M Bokdam, G Kresse… - Physical Review …, 2021 - APS
We present a systematic investigation of the role and importance of excitonic effects on the
optical properties of transitions metal oxide perovskites. A representative set of 14 …