Enhancing electronic and optical properties of monolayer MoSe2via a MoSe2/blue phosphorene heterobilayer
Literature Information
Huabing Shu, Ying Wang, Minglei Sun
Type-II heterostructures are appealing for application in optoelectronics due to their effective separation of photogenerated charge carriers. Based on density functional and many-body perturbation theories, we investigate the MoSe2/blue phosphorene (MoSe2/Blue-P) heterobilayer with three representative stacking configurations. Our calculations indicate that the AA-stacking structure has more thermodynamic and dynamic stability. And it possesses a type-II band alignment with significant band offsets. The band offsets together with an interlayer polarized field will efficiently separate the photogenerated holes and electrons. More interestingly, compared with the MoSe2 monolayer, the MoSe2/Blue-P heterobilayer exhibits a significant enhancement of optical absorption in the range of near-ultraviolet and visible light. Also, the observed interlayer exciton has an impressive binding energy (∼670 meV), suggesting that the radiative recombination can be suppressed by the formation of an interlayer exciton. The predicted maximum energy conversion efficiency of MoSe2/Blue-P can achieve a value as large as 14.3%. These prominent electronic and optical properties provide the MoSe2/Blue-P heterobilayer with great potential in optoelectronics.
Related Literature
A new class of DNA quadruplexes formed by oligodeoxyribonucleotides containing a 3′-3′ or 5′-5′ inversion of polarity site
Veronica Esposito, Antonella Virgilio, Antonio Randazzo, Aldo Galeone, Luciano Mayol
DOI: 10.1039/B504455C
Cobalt oxide hollow nanoparticles derived by bio-templating
Jae-Woo Kim, Sang H. Choi, Peter T. Lillehei, Sang-Hyon Chu, Glen C. King, Gerald D. Watt
DOI: 10.1039/B505097A
The electrochemically-tuneable interactions between flavin-functionalised C60 derivatives and 2,6-diethylamidopyridine
Joseph B. Carroll, Graeme Cooke, James F. Garety, Brian J. Jordan, Suhil Mabruk, Vincent M. Rotello
DOI: 10.1039/B505215G
Highly regio-, chemo- and diastereoselective synthesis of oxa-bridged spirocycles: A novel observation of reverse selectivity
Sengodagounder Muthusamy, Janagiraman Krishnamurthi, Munirathnam Nethaji
DOI: 10.1039/B504692K
Diastereoselective Ni(0)-catalyzed carbocyclization to chiral vinylic sulfoxide
Naoyoshi Maezaki, Hiroaki Sawamoto, Hiroyuki Ishihara, Tetsuaki Tanaka
DOI: 10.1039/B506375B
Chemical control of the photochromic reactivity of diarylethene derivatives
Masato Ohsumi, Tuyoshi Fukaminato, Masahiro Irie
DOI: 10.1039/B506801K
Kinetic isotope effects on thio-substituted biological phosphoryl transfer reactions from density-functional theory
Yun Liu, Xabier Lopez, Darrin M. York
DOI: 10.1039/B502568K
Interpenetrated networks from a novel nanometer-sized pseudopeptidic ligand, bridging water, and transition metal ions with cds topology
Luigi Casella, Nick Hadjiliadis, Enrico Monzani, Nikolaos Kourkoumelis, John C. Plakatouras
DOI: 10.1039/B502788H
Directed assembly and reactivity of olefins within a one-dimensional ladder-like coordination polymer based on a dinuclear Zn(ii) platform
Giannis S. Papaefstathiou, Ivan G. Georgiev, Tomislav Friščić, Leonard R. MacGillivray
DOI: 10.1039/B504477D
You might also like
How is 3-(2-Bromoimidazo[2,1-b]thiazol-6-yl)propanoic acid hydrochloride (CAS: 1187830-80-3) typically synthesized?
3-(2-Bromoimidazo[2,1-b]thiazol-6-yl)propanoic acid hydrochloride is typically s...
How is 2-Isopropyl-1,3-dioxane-5-carboxylic acid (CAS: 116193-72-7) typically synthesized?
2-Isopropyl-1,3-dioxane-5-carboxylic acid is typically synthesized by the carbox...
What is Alisporivir (CAS: 254435-95-5)?
Alisporivir (CAS: 254435-95-5) is an antiviral medication used in the treatment ...
What are the physical and chemical properties of [1,2,4]triazolo[3,4-a]phthalazine (CAS: 234-80-0)?
[1,2,4]triazolo[3,4-a]phthalazine (CAS: 234-80-0) is a crystalline compound with...
What regulatory guidelines apply to (2S)-5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl methyl beta-D-glucopyranosiduronate (CAS: 1985597-72-5)?
Regulatory guidelines for (2S)-5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2...
Is 2,2-Difluorocyclohexanamine hydrochloride (CAS: 921602-83-7) safe?
2,2-Difluorocyclohexanamine hydrochloride is generally safe when handled under p...
What are the main uses of 3-Nitro-2-phenylthiophene (CAS: 18150-94-2)?
3-Nitro-2-phenylthiophene is primarily used in the synthesis of other organic co...
What is 1-(Trifluoroacetyl)-4-piperidinecarbonitrile (CAS: 77940-79-5)?
1-(Trifluoroacetyl)-4-piperidinecarbonitrile (CAS: 77940-79-5) is a colorless to...
What is the market or research trend for 1,3,6,8-Tetranitro-9H-carbazole (CAS: 4543-33-3)?
Research and market trends for 1,3,6,8-Tetranitro-9H-carbazole (CAS: 4543-33-3) ...
How should waste containing Dibenzo[b,d]thiophen-1-ylboronic acid (CAS: 1245943-60-5) be handled?
Waste containing Dibenzo[b,d]thiophen-1-ylboronic acid (CAS: 1245943-60-5) shoul...
Source Journal
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.














