An assessment of strategies for the development of solid-state adsorbents for vehicular hydrogen storage

Mark D. Allendorf, Z. Hulvey, Thomas Gennett, +19

Energy & Environmental Science

Materials ScienceHydrogen Energy TechnologyChemical EngineeringHydrogen ProductionEngineering +12

Self-Trapping of Excitons, Violation of Condon Approximation, and Efficient Fluorescence in Conjugated Cycloparaphenylenes

Lyudmyla Adamska, Iffat Nayyar, Hang Chen, +7

Nano Letters

Armchair Carbon NanotubesEngineeringExcitation Energy TransferChemistryElectronic Excited State +17

Localization of Electronic Excitations in Conjugated Polymers Studied by DFT

Iffat Nayyar, Enrique R. Batista, Sergei Tretiak, +3

The Journal of Physical Chemistry Letters

Charge ExcitationsEngineeringLocalized Excited StateExcitation Energy TransferChemistry +16

Comparison of TD-DFT Methods for the Calculation of Two-Photon Absorption Spectra of Oligophenylvinylenes

Iffat Nayyar, Artëm E. Masunov, Sergei Tretiak

The Journal of Physical Chemistry C

EngineeringAbsorption SpectroscopyExcitation Energy TransferComputational ChemistryChemistry +16

Role of Geometric Distortion and Polarization in Localizing Electronic Excitations in Conjugated Polymers

Iffat Nayyar, Enrique R. Batista, Sergei Tretiak, +3

Journal of Chemical Theory and Computation

Design of a New Optical Material with Broad Spectrum Linear and Two-Photon Absorption and Solvatochromism

William V. Moreshead, Olga V. Przhonska, Mykhailo V. Bondar, +5

The Journal of Physical Chemistry C

Electronic and Optical Properties of a Semiconducting Spinel (Fe₂CrO₄)

Scott A. Chambers, Timothy C. Droubay, Tiffany C. Kaspar, +6

Advanced Functional Materials

Magnetic PropertiesEngineeringCro 4ChemistryEpitaxial Chromium Ferrite +17

Two-Photon Absorption Spectrum of a Single Crystal Cyanine-like Dye

Honghua Hu, Dmitry A. Fishman, Andrey O. Gerasov, +13

The Journal of Physical Chemistry Letters

Optical MaterialsEngineeringAbsorption SpectroscopyChemistryTwo-photon Absorption +14

Physi-Sorption of H2 on Pure and Boron–Doped Graphene Monolayers: A Dispersion–Corrected DFT Study

Iffat Nayyar, Bojana Ginovska, Abhijeet Karkamkar, +1

C – Journal of Carbon Research

H2 Binding SitesEngineeringChemistryGraphene NanomeshesChemical Engineering +16

Effect of <i>trans</i>‐ and <i>cis</i>‐isomeric defects on the localization of the charged excitations in π‐conjugated organic polymers

Iffat Nayyar, Enrique R. Batista, Sergei Tretiak, +3

Journal of Polymer Science Part B Polymer Physics

EngineeringOrganic ChemistryChemistryPolymersPolymer Physic +15