2015
DOI: 10.1063/1.4921012
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Self-assembled peptide nanotubes as electronic materials: An evaluation from first-principles calculations

Abstract: In this letter, we report on the evaluation of diphenylalanine (FF), dityrosine (YY), and phenylalanine-tryptophan (FW) self-assembled peptide nanotube structures for electronics and photonics applications. Realistic bulk peptide nanotube material models were used in density functional theory calculations to mimic the well-ordered tubular nanostructures. Importantly, validated functionals were applied, specifically by using a London dispersion correction to model intertube interactions and a range-separated hy… Show more

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Cited by 48 publications
(49 citation statements)
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“…In addition, these supramolecular structures can be tailored to give desired functionality . For example, self‐assembled phenylalanine‐tryptophan (FW) nanostructures present a much smaller bandgap than FF nanotubes . The resulting improvements in conductivity and photoluminescence, indicate that supramolecular architectures self‐assembled by W‐based peptides may provide better device properties than the F‐based counterparts.…”
Section: Calculated Piezoelectric Coefficients Extracted From Figure Amentioning
confidence: 99%
“…In addition, these supramolecular structures can be tailored to give desired functionality . For example, self‐assembled phenylalanine‐tryptophan (FW) nanostructures present a much smaller bandgap than FF nanotubes . The resulting improvements in conductivity and photoluminescence, indicate that supramolecular architectures self‐assembled by W‐based peptides may provide better device properties than the F‐based counterparts.…”
Section: Calculated Piezoelectric Coefficients Extracted From Figure Amentioning
confidence: 99%
“…Diphenylalanine (FF) is one of the most studied molecular crystal building blocks, mainly due to the exceptional properties of the assembled structures, including piezoelectricity, pyroelectricity, semiconductivity, and photoluminescence . Some of the unique mechanical characteristics of FF assemblies were attributed to noncentrosymmetric crystalline organization at the microscopic level .…”
Section: Laminated Materialsmentioning
confidence: 99%
“…Especially, the supramolecular morphologies and properties can be easily modified by amino acids substitutions 24 , covalent conjugation 25 or co-assembly with external moieties 26 , 27 . For example, upon substitution of one F with tryptophan (W), self-assembling FW nanostructures present a smaller bandgap of 2.25 eV, compared to 3.25 eV of FF nanotubes 28 , thus showing improved conductive 29 and photoluminescent properties 24 . Moreover, recent studies revealed that cyclo-dipeptides with backbones of 2,5-diketopiperazine configurations, derived from dehydration condensation of linear dipeptides 16 , 30 , self-assemble into photoluminescent nanostructures different from their linear counterparts 31 , 32 .…”
Section: Introductionmentioning
confidence: 99%