| People | Locations | Statistics |
|---|---|---|
| Naji, M. |
| |
| Motta, Antonella |
| |
| Aletan, Dirar |
| |
| Mohamed, Tarek |
| |
| Ertürk, Emre |
| |
| Taccardi, Nicola |
| |
| Kononenko, Denys |
| |
| Petrov, R. H. | Madrid |
|
| Alshaaer, Mazen | Brussels |
|
| Bih, L. |
| |
| Casati, R. |
| |
| Muller, Hermance |
| |
| Kočí, Jan | Prague |
|
| Šuljagić, Marija |
| |
| Kalteremidou, Kalliopi-Artemi | Brussels |
|
| Azam, Siraj |
| |
| Ospanova, Alyiya |
| |
| Blanpain, Bart |
| |
| Ali, M. A. |
| |
| Popa, V. |
| |
| Rančić, M. |
| |
| Ollier, Nadège |
| |
| Azevedo, Nuno Monteiro |
| |
| Landes, Michael |
| |
| Rignanese, Gian-Marco |
|
Khan, Muhammad Usman
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (4/4 displayed)
- 2023Role of Aromatic Heterocyclic Core-Based Materials as Donors for Organic and as Hole-Transporting Materials for Perovskites Solar cellscitations
- 2022Evaluating Zn-Porphyrin-Based Near-IR-Sensitive Non-Fullerene Acceptors for Efficient Panchromatic Organic Solar Cellscitations
- 2022Influence of Mn Ions’ Insertion in Pseudo-Tetragonal Phased CaBi4Ti4O15-Based Ceramics for Highly Efficient Energy Storage Devices and High-Temperature Piezoelectric Applicationscitations
- 2022On-site application of solar-activated membrane (Cr–Mn-doped TiO2@graphene oxide) for the rapid degradation of toxic textile effluentscitations
Places of action
| Organizations | Location | People |
|---|
article
Role of Aromatic Heterocyclic Core-Based Materials as Donors for Organic and as Hole-Transporting Materials for Perovskites Solar cells
Abstract
<jats:p> Hole-transporting materials (HTMs) have revolutionized the field of photovoltaics for solar cell devices. Herein, novel butterfly-shaped hole transport material (HTM) 2,7-DMPZ (R) containing twisted core unit is used to develop novel molecules (Q1–Q6) by fitting suitable donor groups at peripheral regions of 2,7-DMPZ. To investigate the power conversion efficiency (PCE) of Q1–Q6, different analyses, including optical, frontier molecular orbitals (FMOs), molecular electrostatic potential (MEP), density of states (DOS), transition density of states (TDM), and charge transfer (CT) analysis are employed using various density functional theory (DFT) and time-dependent-DFT (TD-DFT) approaches. Excitation, binding, and reorganization energy along with open-circuit voltage of Q1–Q6 molecules are estimated. The UV–Visible study elucidates that these molecules exhibited redshifts (329–343[Formula: see text]nm) absorption higher and comparable with the R molecule (342[Formula: see text]nm). The HOMO–LUMO gap of Q1–Q6 (5.31–5.38[Formula: see text]eV) is also narrower than R (5.49[Formula: see text]eV), indicating that designed molecules can show higher charge transfer than R, which can ultimately produce higher PCE values. In case of hole reorganization energy, the hole mobilities are found more valuable than R. For charge transfer analysis, the Q6 molecule is complexed with PC[Formula: see text]BM acceptor polymer that shows promising charge transfer between the Q6/PC[Formula: see text]BM complex. All studies illustrate that proposed molecules (Q1–Q6) have a great capacity to further improve the optical and photovoltaic parameters when they will be used in efficient organic (as donors) and perovskite (as HTM) solar cells and can show higher performances than R. Therefore, these newly designed molecules (Q1–Q6) rerecommended to the experimentalists for the synthesis to be employed as donors in organic and as HTMs in perovskite solar cells applications. </jats:p>