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Title: Water Splits To Degrade Two-Dimensional Group-IV Monochalcogenides in Nanoseconds

Journal Article · · ACS Central Science

The experimental exfoliation of layered group- IV monochalcogenides-semiconductors isostructural to black phosphorus-using processes similar to those followed in the production of graphene or phosphorene has turned out unsuccessful thus far, as if the chemical degradation observed in black phosphorus was aggravated in these monochalcogenides. Here, we document a facile dissociation of water by these materials within 10 ns from room-temperature Car- Parrinello molecular dynamics calculations under standard temperature and pressure conditions. These results suggest that humidity must be fully eradicated to exfoliate monolayers successfully, for instance, by placing samples in a hydrophobic solution during mechanical exfoliation. From another materials perspective, these two-dimensional materials that create individual hydrogen ions out of water without illumination may become relevant for applications in hydrogen production and storage.

Research Organization:
Univ. of Arkansas, Fayetteville, AR (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
SC0016139
OSTI ID:
1476127
Alternate ID(s):
OSTI ID: 1483937; OSTI ID: 1508747
Journal Information:
ACS Central Science, Journal Name: ACS Central Science Vol. 4 Journal Issue: 10; ISSN 2374-7943
Publisher:
American Chemical SocietyCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 51 works
Citation information provided by
Web of Science

Cited By (8)

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Stabilizing the isolated Sn 2 Bi nanosheet and tailoring its electronic structure by chemical functionalization: A computational study journal February 2019
2D group 6 transition metal dichalcogenides toward wearable electronics and optoelectronics journal January 2020
Strain-tunable electronic and optical properties of novel anisotropic green phosphorene: a first-principles study journal May 2019
Group-IV monochalcogenide monolayers: Two-dimensional ferroelectrics with weak intralayer bonds and a phosphorenelike monolayer dissociation energy journal December 2019
First-principles perspectives on detection properties of sulphur mustard gas using novel electroresistive ϵ-Arsenene nanosheet device text January 2020