Browsing WOS İndeksli Yayınlar Koleksiyonu / WOS Indexed Publications Collection by Subject "Transition density matrix (TDM)"

Now showing items 1-1 of 1

Quantum chemical simulations of benzothiadiazole (BT) based small molecule donor materials for efficient organic solar cells

Anwar, Sidra; Naeem, Naila; Elqahtani, Zainab Mufarreh; Siddique, Saba; Iqbal, Javed; Al-Buriahi, M. S.; Alomairy, Sultan (2022)

Four new donor molecules based on benzothiadiazole (BT) core namely BTA(1), BTA(2), BTA(3) and BTA(4) have been designed with A-D-A configuration. Quantum chemical simulations represent that these molecules show the best ...