Journal
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Volume 139, Issue 10, Pages 3841-3850Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jacs.7b00167
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Funding
- NSF [DMR-1420709, DMR-1121288]
- U.S. Army Research Office through the MURI program [W911NF-15-1-0568]
- DOE, BES, Materials Science Division, through the Midwest Integrated Center for Computational Materials (MICCoM)
- Division of Chemistry (CHE)
- Division of Materials Research (DMR)
- National Science Foundation [NSF/CHE-1346572]
- U.S. DOE [DE-AC02-06CH11357]
- Direct For Mathematical & Physical Scien
- Division Of Chemistry [1346572] Funding Source: National Science Foundation
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Numerous applications of liquid crystals rely on control of molecular orientation at an interface. However, little is known about the precise molecular structure of such interfaces. In this work, synchrotron X-ray reflectivity measurements, accompanied by large-scale atomistic molecular dynamics simulations, are used for the first time to reconstruct the air-liquid crystal interface of a nematic material, namely, 4-pentyl-4'-cyanobiphenyl (5CB). The results are compared to those for 4-octyl-4'-cyanobiphenyl (8CB) which, in addition to adopting isotropic and nematic states, can also form a smectic phase. Our findings indicate that the air interface imprints a highly ordered structure into the material; such a local structure then propagates well into the bulk of the liquid crystal, particularly for nematic and smectic phases.
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