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Range-separated hybrid van der Waals density functionals to describe Cu 2 O 2 -complexes

• Authors : Frostenson, Carl Mikael, 1992; Feng, Yingxin, 1994; Hyldgaard, Per, 1964

Subjects: Van der waals; Density functional theory; Cu-CHA

• Source: Laddningsöverförsel vid gränsytor i mjuka material: en utmaning för icke-lokal täthetsfunktionalteori Chemical Physics Letters. 856

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Liquid Phase Exfoliation of Few‐Layer Non‐Van der Waals Chromium Sulfide.

• Authors : Su, Wenjie¹; Kuklin, Artem²; Jin, Ling hua¹

• Source: Advanced Science. 8/21/2024, Vol. 11 Issue 31, p1-10. 10p.

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Electronic Structure and Photocatalytic Water Splitting Application of a New Type II g-ZnO/Ga2SSe van der waals Heterostructure.

• Authors : Cui, Jiahao¹ (AUTHOR); Zhang, Xianbin¹ (AUTHOR) ; Cao, Jiameng¹ (AUTHOR)

• Source: Catalysis Letters. Feb2024, Vol. 154 Issue 2, p601-609. 9p.

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Improvement of Interface Properties and Optical Properties in Bilayer MoS2/VS2 Van der Waals Heterojunctions.

• Authors : PAN Chengfeng¹; SHI Anqi²; SUN Dazhong¹

• Source: Journal of Synthetic Crystals. Nov2023, Vol. 52 Issue 11, p2007-2013. 7p.

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Mott–Hubbard insulating state for the layered van der Waals FePX3 (X: S, Se) as revealed by NEXAFS and resonant photoelectron spectroscopy.

• Authors : Jin, Yichen¹ (AUTHOR); Yan, Mouhui¹ (AUTHOR); Kremer, Tomislav² (AUTHOR)

• Source: Scientific Reports. 1/14/2022, Vol. 12 Issue 1, p1-10. 10p.

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Electron transport properties of van der Waals heterostructures composed by one-dimensional carbon nanotubes and two-dimensional germanium selenide

• Authors : Yuliang Mao; Zhipeng Huang

Subjects: Density functional theory; Non-equilibrium Green's function; Single-walled carbon nanotube

• Source: Results in Physics, Vol 52, Iss , Pp 106835- (2023)

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A density functional theory study of van der Waals interaction in carbon nanotubes.

• Authors : Wang, Houng‐Wei¹ (AUTHOR); Hayashi, Michitoshi¹ (AUTHOR)

• Source: Journal of the Chinese Chemical Society. Mar2023, Vol. 70 Issue 3, p759-769. 11p.

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First‐principles Calculations Reveal Frictional Advantage for C2N/C6N6 van der Waals Heterostructures.

• Authors : Mukherjee, Moumita¹ (AUTHOR); Mandal, Sucharita¹ (AUTHOR); Datta, Ayan¹ (AUTHOR)

• Source: Chemistry - An Asian Journal. Sep2023, Vol. 18 Issue 17, p1-7. 7p.

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Quasiperiodic Van der Waals Heterostructures of Graphene and Hexagonal Boron Nitride

• Authors : Bhandary, Sumanta; Haldar, Soumyajyoti; Sanyal, Biplab

Subjects: computational physics; density functional theory; Fibonacci sequences

• Source: Physica status solidi. B, Basic research. 259(2)

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High‐throughput screening of phase‐engineered atomically thin transition‐metal dichalcogenides for van der Waals contacts at the Schottky–Mott limit

• Authors : Yanyan Li; Liqin Su; Yanan Lu

Subjects: density functional theory; Fermi‐level pinning; metal–semiconductor junctions

• Source: InfoMat, Vol 5, Iss 7, Pp n/a-n/a (2023)

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