π–π noncovalent interaction involving 1, 2, 4-and 1, 3, 4-oxadiazole systems: The combined experimental, theoretical, and database study

SV Baykov, AS Mikherdov, AS Novikov, KK Geyl… - Molecules, 2021 - mdpi.com
A series of N-pyridyl ureas bearing 1, 2, 4-(1a, 2a, and 3a) and 1, 3, 4-oxadiazole moiety
(1b, 2b, 3b) was prepared and characterized by HRMS, 1H and 13C NMR spectroscopy, as …

Isoindigo derivatives as promising hole transport materials for perovskite solar cells

M Vatanparast, Z Shariatinia - Solar Energy, 2021 - Elsevier
The role of hole transport material (HTM) layer is critical to obtain high performances for
perovskite solar cells (PSCs). The development of novel HTMs with good stability, low cost …

Unusual alternating crystallization-induced emission enhancement behavior in nonconjugated ω-phenylalkyl tropylium salts

RD Crocker, DP Pace, B Zhang… - Journal of the …, 2021 - ACS Publications
The alternating physical properties, especially melting points, of α, ω-disubstituted n-alkanes
and their parent n-alkanes had been known since Baeyer's report in 1877. There is …

Designing novel spiro compounds as favorable hole transport materials for quantum dot sensitized photovoltaics

Z Shariatinia - Solar Energy, 2022 - Elsevier
Some hole transport materials (HTMs) containing 9, 9´-spiro-bifluorene central moiety (core)
were developed to achieve high performance quantum dot sensitized solar cells (QDSSCs) …

Exceptional electron transport characteristics of naphthalene diimide-based materials for perovskite photovoltaic devices

Z Shariatinia - Journal of Molecular Structure, 2024 - Elsevier
Some electron transporting layers (ETLs) were designed for perovskite solar cells (PSCs)
and contained NDIID (N, N′-bis (1-indanyl) naphthalene-1, 4, 5, 8-tetracarboxylic diimide) …

The calculation of DA-π-AD hole transfer materials containing fluoranthene core for efficient perovskite solar cells

M Zaboli, Z Shariatinia - Materials Today Communications, 2023 - Elsevier
In this work, an inexpensive, effective, and dopant-free hole transport material (HTM) of DA-
π-AD (D= donor, A= acceptor) molecular configuration, called DTB-FL was selected as the …

How does changing substituents affect the hole transport characteristic of butterfly-shaped materials based on fluorene–dithiophene core for perovskite photovoltaics

Z Shariatinia - Journal of Industrial and Engineering Chemistry, 2023 - Elsevier
Ten butterfly-shaped compounds based on fluorene–dithiophene (FDT) core containing
para-substituted N, N-phenylamine moieties were designed as hole transporting materials …

Theoretical study on the molecular stacking interactions and charge transport properties of triazasumanene crystals–from explanation to prediction

X Chen, H Sakurai, H Wang, S Gao, HD Bi… - Physical Chemistry …, 2021 - pubs.rsc.org
Computational analyses of the solid-state properties of triazasumanene (TAS), a C3-
symmetric nitrogen-doped sumanene derivative, were carried out in this work. The present …

Unveiling the significance of adduct formation between thiocarbonyl Lewis donors and diiodine for the structural organization of rhodanine-based small molecule …

AL Sanna, S Acca, E Podda, A Mascia… - Journal of Materials …, 2024 - pubs.rsc.org
Rhodanine vinyl bithiophene (BTR) was synthesized and characterized both
spectroscopically and structurally. The reaction of BTR with molecular iodine led to the 1: 1 …

Non-covalent interactions involving remote substituents influence the topologies of supramolecular chains featuring hydroxyl-O–H⋯ O (hydroxyl) hydrogen bonding in …

SL Tan, ERT Tiekink - CrystEngComm, 2021 - pubs.rsc.org
Crystallography shows the universal adoption of supramolecular chains featuring hydroxyl-
O–H⋯ O (hydroxyl) hydrogen bonding in crystals of (HOCH2CH2) 2NC (S) N (H)(C6H4Y-4) …