Promising photovoltaic efficiency of a layered silicon oxide crystal Si3 O

Nanoscale
Sejoong KimYoung-Woo Son

Abstract

Computational searching and screening of new functional materials exploiting Earth abundant elements can accelerate the development of their energy applications. Based on the state-of-the-art material search algorithm and ab initio calculations, we demonstrate a recently suggested stable silicon oxide with a layered structure (Si3O) as an ideal photovoltaic material. With many-body first-principles approaches, the monolayer and layered bulk of Si3O show direct quasiparticle gaps of 1.85 eV and 1.25 eV, respectively, while an optical gap of about 1.2 eV is nearly independent of the number of layers. Spectroscopic limited maximum efficiency (SLME) is estimated to be 27% for a thickness of 0.5 μm, making it a promising candidate for solar energy applications.

References

Oct 15, 1986·Physical Review. B, Condensed Matter·M S Hybertsen, S G Louie
Oct 28, 1996·Physical Review Letters·J P PerdewM Ernzerhof
Jul 11, 2006·The Journal of Chemical Physics·Artem R Oganov, Colin W Glass
Sep 7, 2006·Journal of Computational Chemistry·Stefan Grimme
Dec 21, 2006·The Journal of Chemical Physics·Aliaksandr V KrukauGustavo E Scuseria
Jan 15, 2011·Physical Review Letters·Kin Fai MakTony F Heinz
Nov 8, 2012·Nature Nanotechnology·Qing Hua WangMichael S Strano
Dec 10, 2013·Physical Review Letters·Diana Y QiuSteven G Louie
Nov 18, 2014·Nature Materials·Duck Young KimTimothy A Strobel
Jul 30, 2016·Science·K S NovoselovA H Castro Neto
Mar 25, 2017·Physical Review Letters·Michael AshtonRichard G Hennig
Apr 15, 2017·Science·Nancy M HaegelSarah Kurtz
Sep 7, 2018·Advanced Materials·Sonali DasTania Roy
Nov 6, 2018·ACS Applied Materials & Interfaces·Qiang WangBin Wang
Sep 25, 2019·ACS Applied Materials & Interfaces·Hongchao YangYing Dai
Oct 17, 2019·Scientific Data·Olga KononovaGerbrand Ceder
Jan 1, 2019·Chemistry of Materials : a Publication of the American Chemical Society·Kamal ChoudharyFrancesca Tavazza

❮ Previous
Next ❯

Software Mentioned

BerkeleyGW
Quantum ESPRESSO
SANDWICH

Related Concepts

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.