High-Contrast Bidirectional Optoelectronic Synapses based on 2D Molecular Crystal Heterojunctions for Motion Detection.
Sign Up to like & getrecommendations! Published in 2023 at "Advanced materials"
DOI: 10.1002/adma.202301468
Abstract: Light-stimulated optoelectronic synaptic devices are fundamental compositions of the neuromorphic vision system. However, there are still huge challenges to achieving both bidirectional synaptic behaviors under light stimuli and high performance. Herein, a bilayer 2D molecular… read more here.
Keywords: motion detection; optoelectronic synapses; contrast; motion ... See more keywords
Discriminating and understanding molecular crystal polymorphism
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.27057
Abstract: Polymorph discrimination for a molecular crystal has long been a challenging task, which, nonetheless, is a major concern in the pharmaceutical industry. In this work, we have investigated polymorph discrimination on three different molecular crystals,… read more here.
Keywords: discriminating understanding; polymorphism; understanding molecular; crystal polymorphism ... See more keywords
Plastic Deformation in a Molecular Crystal Enables a Piezoresistive Response.
Sign Up to like & getrecommendations! Published in 2023 at "Small"
DOI: 10.1002/smll.202206169
Abstract: Organic materials are promising candidates for the development of efficient sensors for many medicinal and materials science applications. Single crystals of a small molecule, 4-trifluoromethyl phenyl isothiocyanate (4CFNCS), exhibit plastic deformation when bent, twisted, or… read more here.
Keywords: deformation molecular; deformation; plastic deformation; molecular crystal ... See more keywords
Syntheses of novel 2-oxo-1,2-dihydroquinoline derivatives: Molecular and crystal structures, spectroscopic characterizations, Hirshfeld surface analyses, molecular docking studies and density functional theory calculations
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2020.128461
Abstract: Abstract Sixteen new quinoline derivatives (3–18) have been synthesized through cyclocondensation, nucleophilic substitution and alkylation reactions. All the obtained compounds have been characterized using 1H-, 13C and 19F NMR spectroscopic measurements. The molecular and crystal… read more here.
Keywords: surface analyses; density functional; hirshfeld surface; molecular crystal ... See more keywords
Characterization of the Molecular Crystal L-Alaninium Oxalate by Raman Microscopy, Optical Microscopy and X-ray Powder Diffraction
Sign Up to like & getrecommendations! Published in 2017 at "Microscopy and Microanalysis"
DOI: 10.1017/s1431927617009102
Abstract: There are studies that claim that molecular materials formed by combination of amino acids with other organic or inorganic compounds exhibit good NLO properties, low laser damage threshold and acceptable mechanical and thermal properties [2].… read more here.
Keywords: alaninium oxalate; molecular crystal; microscopy;
Minimal Basis Set Hartree-Fock Corrected with Atom-Centered Potentials for Molecular Crystal Modeling and Crystal Structure Prediction
Sign Up to like & getrecommendations! Published in 2022 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.2c00656
Abstract: Crystal structure prediction (CSP), determining the experimentally observable structure of a molecular crystal from the molecular diagram, is an important challenge with technologically relevant applications in materials manufacturing and drug design. For the purpose of… read more here.
Keywords: structure; energy; basis set; molecular crystal ... See more keywords
Composite and Low-Cost Approaches for Molecular Crystal Structure Prediction.
Sign Up to like & getrecommendations! Published in 2018 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.7b01179
Abstract: Molecular crystal structure prediction (CSP) requires evaluating differences in lattice energy between candidate crystal structures accurately and efficiently. In this work, we explore and compare several low-cost alternatives to dispersion-corrected density-functional theory (DFT) in the… read more here.
Keywords: crystal structure; molecular crystal; low cost; cost ... See more keywords
Controlling the Growth of Molecular Crystal Aggregates with Distinct Linear and Nonlinear Optical Properties.
Sign Up to like & getrecommendations! Published in 2017 at "ACS applied materials & interfaces"
DOI: 10.1021/acsami.7b10109
Abstract: Two novel donor-acceptor molecules, 2,7-diphenylbenzo[1,2-b:4,3-b']difuran-4,5-dicarbonitrile and 2,7-bis(4-methoxyphenyl)benzo[1,2-b:4,3-b']difuran-4,5-dicarbonitrile containing cyano group as the electron acceptor, were synthesized. Their single-crystal structures, molecular packing, and self-assembly behaviors were also investigated. By simple solvent evaporation techniques, these compounds self-assemble… read more here.
Keywords: growth molecular; molecular crystal; optical properties; controlling growth ... See more keywords
Nanoscale Periodic Trapping Sites for Interlayer Excitons Built by Deformable Molecular Crystal on 2D Crystal.
Sign Up to like & getrecommendations! Published in 2023 at "ACS nano"
DOI: 10.1021/acsnano.3c00541
Abstract: The nanoscale moiré pattern formed at 2D transition-metal dichalcogenide crystal (TMDC) heterostructures provides periodic trapping sites for excitons, which is essential for realizing various exotic phases such as artificial exciton lattices, Bose-Einstein condensates, and exciton… read more here.
Keywords: crystal; interlayer excitons; nanoscale periodic; molecular crystal ... See more keywords
Diisopropylammonium Bromide Based Two-Dimensional Ferroelectric Monolayer Molecular Crystal with Large In-Plane Spontaneous Polarization.
Sign Up to like & getrecommendations! Published in 2019 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.8b12102
Abstract: In light of their easy processing, light weight and mechanical flexibility, ferroelectric molecular crystal with large spontaneous polarization ( Ps) is highly desired for many advanced applications. Herein, we report the first theoretical study of… read more here.
Keywords: ferroelectric monolayer; crystal large; molecular crystal; plane ... See more keywords
Heat capacity anomalies of the molecular crystal 1-fluoro-adamantane at low temperatures
Sign Up to like & getrecommendations! Published in 2021 at "Scientific Reports"
DOI: 10.1038/s41598-021-97973-2
Abstract: Disorder–disorder phase transitions are rare in nature. Here, we present a comprehensive low-temperature experimental and theoretical study of the heat capacity and vibrational density of states of 1-fluoro-adamantane (C10H15F), an intriguing molecular crystal that presents… read more here.
Keywords: molecular crystal; capacity; disorder; fluoro adamantane ... See more keywords