A study on the electronic and interfacial structures of monolayer ReS2–metal contacts
文献情報
Guofeng Yang, Rui Sun, Pengfei Yan, Yanan Lu, Junjun Xue, Guoqing Chen
In this paper, we perform a systematic and rigorous study to evaluate the Ohmic nature of the top-contact formed by the monolayer ReS2 (mReS2) and metals (gold, silver, platinum, nickel, titanium, and scandium) by means of first-principles density functional theory calculations. We investigate the potential barrier, charge transfer and atomic orbital overlap at the mReS2–metal interface in consideration of van der Waals forces to understand how efficiently carriers could be injected from the metal contact to the mReS2 channel. ReS2 is physisorbed on Au and Ag, which leads to little perturbation of its electronic structures and forms a larger Schottky contact and a higher tunnel barrier at the interface. ReS2 is chemisorbed on Ti and Sc, where the bonding strongly perturbs the electronic structures and is found to be purely Ohmic. The bonding of ReS2 on Pt and Ni lies between these two extreme cases, demonstrating an intermediate behavior. These findings not only provide an insight into the mReS2–metal interfaces but may also prove to be instrumental in the future design of ReS2-based devices with good performance.
関連文献
The atmospheric oxidation mechanism of 2-methylnaphthalene
Runrun Wu, Yun Li, Shanshan Pan, Sainan Wang
DOI: 10.1039/C5CP02731D
Linear, non-linear and plastic bending deformation of cellulose nanocrystals
DOI: 10.1039/C6CP00624H
Investigation of nitriding and reduction processes in a nanocrystalline iron–ammonia–hydrogen system at 350 °C
Wilk Bartłomiej, Walerian Arabczyk
DOI: 10.1039/C5CP02376A
A computational study on the N-heterocyclic carbene-catalyzed Csp2–Csp3 bond activation/[4+2] cycloaddition cascade reaction of cyclobutenones with imines: a new application of the conservation principle of molecular orbital symmetry
Yang Wang, Bohua Wu, Haoyang Zhang, Donghui Wei, Mingsheng Tang
DOI: 10.1039/C6CP03180C
The time scale of the quaternary structural changes in hemoglobin revealed using the transient grating technique
Jungkweon Choi
DOI: 10.1039/C5CP03059E
X-ray absorption resonances near L2,3-edges from real-time propagation of the Dirac–Kohn–Sham density matrix
Marius Kadek, Lukas Konecny, Bin Gao, Michal Repisky, Kenneth Ruud
DOI: 10.1039/C5CP03712C
Metallonaphthalocyanines as triplet sensitizers for near-infrared photon upconversion beyond 850 nm
Shogo Amemori, Nobuo Kimizuka
DOI: 10.1039/C5CP02733K
Energy landscapes of a hairpin peptide including NMR chemical shift restraints
Joanne M. Carr, Chris S. Whittleston, David C. Wade, David J. Wales
DOI: 10.1039/C5CP01259G
Hydrogen bond cooperativity and anticooperativity within the water hexamer
José Manuel Guevara-Vela, Eduardo Romero-Montalvo, Víctor Arturo Mora Gómez, Rodrigo Chávez-Calvillo, Marco García-Revilla, Evelio Francisco, Ángel Martín Pendás, Tomás Rocha-Rinza
DOI: 10.1039/C6CP00763E
こちらもおすすめ
間溴苯甲酰腈の市場動向や研究トレンドはどうですか?
間 brom 苯甲酰腈は、合成化学や薬物化学において重要な Intermediate として使用されています。市場動向としては、その合成性と機能性により、研究開...
Methyl 2-amino-5-(trifluoromethyl)benzoateに適用される法規ガイドラインは何ですか?
CAS番号117324-58-0の塩酸メチル2アミノ-5-トリフルオロメチルベンゼートは、GHS分類により腐食性物質と判定されます。REACH規則では、製造、販...
3-ブロモ-1,3,4,5-四水化-2H-1-ベンザアゼピン-2-オンは安全ですか?
毒性があるため、適切な安全対策が必須です。皮膚や粘膜への刺激性が強く、吸入や誤飲により健康被害を引き起こす可能性があります。取扱時にはガスマスクや手袋、眼鏡を使...
三氟甲基ピリジン-2-甲アミン塩酸塩は安全ですか?
三氟甲基ピリジン-2-甲アミン塩酸塩は安全性に注意が必要です。毒性は低レベルですが、直接的接触や吸入は避けるべきです。適切な手袋や防塵マスクを着用し、密閉された...
1-エチル-4-(4-硝基フェニル)ピペリジンは安全ですか?
1-エチル-4-(4-硝基フェニル)ピペリジンは有毒であり、取扱には注意が必要です。保管や作業中に手袋を着用し、目や皮膚に接触しないように注意する必要があります...
1,1-ジメトキシプロパン-2-オンは安全ですか?
1,1-ジメトキシプロパン-2-オンは一般的に低毒性ですが、皮膚や目への刺激性があるため、取扱いには注意が必要です。蒸気や液体の吸入には有害な可能性があり、適切...
コバルト(II) 3,3'-{[(1S,2S)-1,2-ジメチルフENCYCLICALE-1,2-エチエンジイル]ビス[ニトロリルメチルイリデン]}ビス[4-オキソ-2-ペンテン-2-olate]について「に適用される法規ガイドラインは何ですか?
この化合物はCAS番号259259-80-8に対応しています。GHS分類では、毒性、燃焼性、反応性、炎症性を考慮に入れ、適切な危険性分類が行われます。REACH...
「カーバミル酸, N-[8-[[2-[[2-(2,6-ジオキソ-3-ピペリジニル)-2,3-ジオキソ-1,3-ジヒドロ-1H-イソイソインドール-4-イルオキシ]アセチル]アミノ]オクチル]-1,1-ジメチレチルエステル」はどのように保存すればよいですか?
この化合物は、冷却庫で-20℃の温度、乾燥した容器に保管し、直日光から保護する必要があります。湿度の高い環境や高温は避けてください。
掲載誌
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.











![trans,trans-4-n-Propyl-4-[4-(trifluoromethoxy)phenyl]bicyclohexyl structure trans,trans-4-n-Propyl-4-[4-(trifluoromethoxy)phenyl]bicyclohexyl structure](https://static.chemtradehub.com/structs/133/133937-72-1-25ef.webp)


