Twist-induced interlayer charge buildup in a WS2 bilayer revealed by electron Compton scattering and density functional theory (2023)
Journal Article
Talmantaite, A., Xie, Y., Cohen, A., Mohapatra, P., Ismach, A., Mizoguchi, T., …Mendis, B. (2023). Twist-induced interlayer charge buildup in a WS2 bilayer revealed by electron Compton scattering and density functional theory. Physical Review B, 107(23), Article 235424. https://doi.org/10.1103/physrevb.107.235424

Exotic properties emerge from the electronic structure of few-layer transition-metal dichalcogenides (TMDs), such as direct band gaps in monolayers and moiré excitons in twisted bilayers, which are exploited in modern optoelectronic devices and twist... Read More about Twist-induced interlayer charge buildup in a WS2 bilayer revealed by electron Compton scattering and density functional theory.

Understanding the optical spectroscopy of amphiphilic molecular rectifiers: A density functional approach (2010)
Journal Article
Tan, O., Clark, S., Szablewski, M., & Cross, G. (2010). Understanding the optical spectroscopy of amphiphilic molecular rectifiers: A density functional approach. The Journal of Chemical Physics, 133(24), Article 244702. https://doi.org/10.1063/1.3516177

We present results of first principles density functional theory calculations of the electronic and atomic structural properties of model Z-type Langmuir–Blodgett (LB) layers comprising amphiphilic quinolinium tricyanoquinodimethanide (Q3CNQ) chromop... Read More about Understanding the optical spectroscopy of amphiphilic molecular rectifiers: A density functional approach.

The Complex Excited-state Behavior of a Polyspirobifluorene Derivative: The Role of Spiroconjugation and Mixed Charge Transfer Character on Excited-state Stabilization and Radiative Lifetime (2008)
Journal Article
Hintschich, S. I., Rothe, C., King, S. M., Clark, S. J., & Monkman, A. P. (2008). The Complex Excited-state Behavior of a Polyspirobifluorene Derivative: The Role of Spiroconjugation and Mixed Charge Transfer Character on Excited-state Stabilization and Radiative Lifetime. Journal of Physical Chemistry B (Soft Condensed Matter and Biophysical Chemistry), 112(51), 16300-16306. https://doi.org/10.1021/jp8044884

In this study, we report on the unusual fluorescence decay of an alkoxy-substituted polyspirobifluorene. Excited state behavior has been probed as a function of time, using femtosecond photobleaching, single photon counting, and streak camera techniq... Read More about The Complex Excited-state Behavior of a Polyspirobifluorene Derivative: The Role of Spiroconjugation and Mixed Charge Transfer Character on Excited-state Stabilization and Radiative Lifetime.

Matrix dependence of blue light emission from a novel NH2-functionalized dicyanoquinodimethane derivative (2006)
Journal Article
Szablewski, M., Bloor, D., Kagawa, Y., Mosurkal, R., Cole, J., Clark, S., …Palsson, L. (2006). Matrix dependence of blue light emission from a novel NH2-functionalized dicyanoquinodimethane derivative. Journal of Physical Organic Chemistry, 19(3), 206-213. https://doi.org/10.1002/poc.1020

The reactions of primary and secondary amines with (cyclohexa-2,5-diene-1,4-diylidene)-dimalononitrile (TCNQ) lead to mono- and disubstituted dicyanoquinodimethane derivatives and fluorescence emission has been observed for several of these compounds... Read More about Matrix dependence of blue light emission from a novel NH2-functionalized dicyanoquinodimethane derivative.

Arene-perfluoroarene interactions in crystal engineering: structural preferences in polyfluorinated tolans (2004)
Journal Article
Smith, C., Smith, P., Thomas, R., Robins, E., Collings, J., Dai, C., …Marder, T. (2004). Arene-perfluoroarene interactions in crystal engineering: structural preferences in polyfluorinated tolans. Journal of materials chemistry, 14(3), 413-420. https://doi.org/10.1039/b314094f

The compounds 4-ROC6F4C[triple bond, length as m-dash]CPh (4) where R = Me (a), Et (b), Prn (c), Pri (d), Bun (e), n-C5H11 (f), PhCH2 (g), PhCH2CH2 (h), 4-MeC6H4 (i), 4-EtC6H4 (j) and menthyl (k), have been prepared by reaction of C6F5C[triple bond,... Read More about Arene-perfluoroarene interactions in crystal engineering: structural preferences in polyfluorinated tolans.

Arene-perfluoroarene interactions in crystal engineering 8: structures of 1 : 1 complexes of hexafluorobenzene with fused-ring polyaromatic hydrocarbons (2002)
Journal Article
Collings, J., Roscoe, K., Robins, E., Batsanov, A., Stimson, L., Howard, J., …Marder, T. (2002). Arene-perfluoroarene interactions in crystal engineering 8: structures of 1 : 1 complexes of hexafluorobenzene with fused-ring polyaromatic hydrocarbons. New Journal of Chemistry, 26(12), 1740-1746. https://doi.org/10.1039/b207102a

A series of 1:1 complexes of hexafluorobenzene (HFB) with naphthalene, anthracene, phenanthrene, pyrene and triphenylene were prepared and their X-ray crystal structures determined at low temperatures. Each structure contains infinite mixed stacks of... Read More about Arene-perfluoroarene interactions in crystal engineering 8: structures of 1 : 1 complexes of hexafluorobenzene with fused-ring polyaromatic hydrocarbons.

Matrix dependence of light emission from TCNQ adducts (2001)
Journal Article
Bloor, D., Kagawa, Y., Szablewski, M., Ravi, M., Clark, S., Cross, G., …Rumbles, G. (2001). Matrix dependence of light emission from TCNQ adducts. Journal of materials chemistry, 11(12), 3053-3062. https://doi.org/10.1039/b104992p

The reactions of primary and secondary amines with 7,7,8,8-tetracyano-p-quinodimethane(TCNQ) lead to mono- and di-substituted adducts. Fluorescence emission has been observed for several of these compounds. The luminescence property of the TCNQ adduc... Read More about Matrix dependence of light emission from TCNQ adducts.