Illuminating Invisible Grain Boundaries in Coalesced Single-Orientation WS

ReaxFF molecular dynamics chemical vapor deposition grain boundaries transition metal dichalcogenides transmission electron microscopy tungsten disulfide

Journal

Nano letters
ISSN: 1530-6992
Titre abrégé: Nano Lett
Pays: United States
ID NLM: 101088070

Informations de publication

Date de publication:
11 Aug 2021
Historique:
pubmed: 28 7 2021
medline: 28 7 2021
entrez: 27 7 2021
Statut: ppublish

Résumé

Engineering atomic-scale defects is crucial for realizing wafer-scale, single-crystalline transition metal dichalcogenide monolayers for electronic devices. However, connecting atomic-scale defects to larger morphologies poses a significant challenge. Using electron microscopy and ReaxFF reactive force field-based molecular dynamics simulations, we provide insights into WS

Identifiants

DOI: 10.1021/acs.nanolett.1c01517 PMID: 34314181
pubmed: 34314181
doi: 10.1021/acs.nanolett.1c01517
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

6487-6495

Auteurs

Danielle Reifsnyder Hickey (D)

Department of Materials Science and Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802, United States.
ORCID: 0000-0002-8962-1473

Nadire Nayir (N)

2D Crystal Consortium-Materials Innovation Platform (2DCC-MIP), Materials Research Institute, The Pennsylvania State University, University Park, Pennsylvania 16802, United States.
Department of Mechanical Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802, United States.
Department of Physics, Karamanoglu Mehmet University, Karaman 70000, Turkey.
ORCID: 0000-0002-3621-2481

Mikhail Chubarov (M)

2D Crystal Consortium-Materials Innovation Platform (2DCC-MIP), Materials Research Institute, The Pennsylvania State University, University Park, Pennsylvania 16802, United States.
ORCID: 0000-0002-4722-0321

Tanushree H Choudhury (TH)

2D Crystal Consortium-Materials Innovation Platform (2DCC-MIP), Materials Research Institute, The Pennsylvania State University, University Park, Pennsylvania 16802, United States.
ORCID: 0000-0002-0662-2594

Saiphaneendra Bachu (S)

Department of Materials Science and Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802, United States.

Leixin Miao (L)

Department of Materials Science and Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802, United States.

Yuanxi Wang (Y)

2D Crystal Consortium-Materials Innovation Platform (2DCC-MIP), Materials Research Institute, The Pennsylvania State University, University Park, Pennsylvania 16802, United States.
ORCID: 0000-0002-0659-1134

Chenhao Qian (C)

Department of Materials Science and Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802, United States.

Vincent H Crespi (VH)

2D Crystal Consortium-Materials Innovation Platform (2DCC-MIP), Materials Research Institute, The Pennsylvania State University, University Park, Pennsylvania 16802, United States.
Department of Physics, The Pennsylvania State University, University Park, Pennsylvania 16802, United States.

Joan M Redwing (JM)

Department of Materials Science and Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802, United States.
2D Crystal Consortium-Materials Innovation Platform (2DCC-MIP), Materials Research Institute, The Pennsylvania State University, University Park, Pennsylvania 16802, United States.
ORCID: 0000-0002-7906-452X

Adri C T van Duin (ACT)

2D Crystal Consortium-Materials Innovation Platform (2DCC-MIP), Materials Research Institute, The Pennsylvania State University, University Park, Pennsylvania 16802, United States.
Department of Mechanical Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802, United States.
ORCID: 0000-0002-3478-4945

Nasim Alem (N)

Department of Materials Science and Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802, United States.
ORCID: 0000-0003-0009-349X

Classifications MeSH