Browsing Research Articles [MEWES] by Author "Deogratias, Geradius"
Now showing items 1-3 of 3
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Investigation of optoelectronic properties of triphenylamine-based dyes featuring heterocyclic anchoring groups for DSSCs’ applications: a theoretical study
Deogratias, Geradius; Al-Qurashi, Ohoud S.; Wazzan, Nuha; Seriani, Nicola; Pogrebnaya, Tatiana P.; Pogrebnoi, Alexander M. (Springer Nature Switzerland AG., 2020-08-05)Design and synthesis of new potent sensitizers are of interest for realization of high-efficiency Dye Sensitized Solar Cells (DSSCs). Modification of the triphenylamine-based dyes by introducing suitable anchoring groups ... -
A Molecular Investigation of the Solvent Influence on Inter- and Intra-Molecular Hydrogen Bond Interaction of Linamarin
Paul, Lucas; Deogratias, Geradius; Shadrack, Daniel; Mudogo, Celestin; Mtei, Kelvin; Machunda, Revocatus; Paluch, Andrew; Ntie‐Kang, Fidele (MDPI, 2022-02-11)Linamarin has been reported to have anticancer activities; however, its extraction and isolation using different solvents yield a low amount. Therefore, understanding the physical prop‐ erties, such as solvents’ solubility, ... -
Tuning optoelectronic properties of triphenylamine based dyes through variation of pi-conjugated units and anchoring groups: A DFT/TD-DFT investigation.
Deogratias, Geradius; Seriani, Nicola; Pogrebnaya, Tatiana; Pogrebnoi, Alexander (Elsevier Inc., 2020-01-01)Dye-sensitized solar cells (DSSCs) have attracted widespread attention due to their unique features. In the present work, molecular engineered triphenylamine based dyes featuring donor-bridge-acceptor architecture have ...