Enhanced van der Waals epitaxy via electron transfer enabled interfacial dative bond formation
Abstract
Enhanced van der Waals (vdW) epitaxy of semiconductors on a layered vdW substrate is identified as the formation of dative bonds. For example, despite that NbSe2 is a vdW layeredmaterial, first-principles calculations reveal that the bond strength at a CdTe-NbSe2 interface is five times as large as that of vdW interactions at a CdTe-graphene interface. Finally, the unconventional chemistry here is enabled by an effective net electron transfer from Cd dangling-bond states at a CdTe surface to metallic nonbonding NbSe2 states, which is a necessary condition to activate the Cd for enhanced binding with Se.
- Authors:
-
- Rensselaer Polytechnic Institute, Troy, NY (United States)
- Publication Date:
- Research Org.:
- Rensselaer Polytechnic Inst., Troy, NY (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)
- OSTI Identifier:
- 1408769
- Alternate Identifier(s):
- OSTI ID: 1408797
- Grant/Contract Number:
- AC02-05CH11231
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review Materials
- Additional Journal Information:
- Journal Volume: 1; Journal Issue: 6; Journal ID: ISSN 2475-9953
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
Citation Formats
Xie, Weiyu, Lu, Toh -Ming, Wang, Gwo -Ching, Bhat, Ishwara, and Zhang, Shengbai. Enhanced van der Waals epitaxy via electron transfer enabled interfacial dative bond formation. United States: N. p., 2017.
Web. doi:10.1103/PhysRevMaterials.1.063402.
Xie, Weiyu, Lu, Toh -Ming, Wang, Gwo -Ching, Bhat, Ishwara, & Zhang, Shengbai. Enhanced van der Waals epitaxy via electron transfer enabled interfacial dative bond formation. United States. https://doi.org/10.1103/PhysRevMaterials.1.063402
Xie, Weiyu, Lu, Toh -Ming, Wang, Gwo -Ching, Bhat, Ishwara, and Zhang, Shengbai. Tue .
"Enhanced van der Waals epitaxy via electron transfer enabled interfacial dative bond formation". United States. https://doi.org/10.1103/PhysRevMaterials.1.063402. https://www.osti.gov/servlets/purl/1408769.
@article{osti_1408769,
title = {Enhanced van der Waals epitaxy via electron transfer enabled interfacial dative bond formation},
author = {Xie, Weiyu and Lu, Toh -Ming and Wang, Gwo -Ching and Bhat, Ishwara and Zhang, Shengbai},
abstractNote = {Enhanced van der Waals (vdW) epitaxy of semiconductors on a layered vdW substrate is identified as the formation of dative bonds. For example, despite that NbSe2 is a vdW layeredmaterial, first-principles calculations reveal that the bond strength at a CdTe-NbSe2 interface is five times as large as that of vdW interactions at a CdTe-graphene interface. Finally, the unconventional chemistry here is enabled by an effective net electron transfer from Cd dangling-bond states at a CdTe surface to metallic nonbonding NbSe2 states, which is a necessary condition to activate the Cd for enhanced binding with Se.},
doi = {10.1103/PhysRevMaterials.1.063402},
journal = {Physical Review Materials},
number = 6,
volume = 1,
place = {United States},
year = {Tue Nov 14 00:00:00 EST 2017},
month = {Tue Nov 14 00:00:00 EST 2017}
}
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