Improved charge extraction in inverted perovskite solar cells with dual-site-binding ligands

H Chen, C Liu, J Xu, A Maxwell, W Zhou, Y Yang… - Science, 2024 - science.org
Inverted (pin) perovskite solar cells (PSCs) afford improved operating stability in comparison
to their nip counterparts but have lagged in power conversion efficiency (PCE). The …

Substituent effects of nitro group in cyclic compounds

A Jezuita, K Ejsmont, H Szatylowicz - Structural Chemistry, 2021 - Springer
Numerous studies on nitro group properties are associated with its high electron-
withdrawing ability, by means of both resonance and inductive effect. The substituent effect …

On the relations between aromaticity and substituent effect

H Szatylowicz, A Jezuita, TM Krygowski - Structural Chemistry, 2019 - Springer
Aromaticity/aromatic and substituent/substituent effects belong to the most commonly used
terms in organic chemistry and related fields. The quantitative description of aromaticity is …

[HTML][HTML] Effect of surface functional groups on MXene conductivity

R Khanal, S Irle - The Journal of Chemical Physics, 2023 - pubs.aip.org
We report the in-plane electron transport in the MXenes (ie, within the MXene layers) as a
function of composition using the density-functional tight-binding method, in conjunction with …

Data enhanced Hammett-equation: reaction barriers in chemical space

M Bragato, GF von Rudorff, OA von Lilienfeld - Chemical science, 2020 - pubs.rsc.org
It is intriguing how the Hammett equation enables control of chemical reactivity throughout
chemical space by separating the effect of substituents from chemical process variables …

[HTML][HTML] Understanding the chemical contribution to the enhancement mechanism in SERS: Connection with Hammett parameters

DJ Trivedi, B Barrow, GC Schatz - The Journal of Chemical Physics, 2020 - pubs.aip.org
The enhancement mechanism due to the molecule–surface chemical interaction in surface-
enhanced Raman scattering (SERS) has been characterized using a theoretical approach …

Corrosion Protective Coatings from Poly (heterocyclic diphenylamine): Polyaniline Analogues

RF Awoyemi, M Almtiri, H Giri, CN Scott… - ACS Applied Polymer …, 2024 - ACS Publications
This study explores conducting polymers with side chains containing long, branched alkyl
groups as candidates for corrosion suppression coatings. These polymers, containing …

Synthesis, Stability, and Biological Studies of Fluorinated Analogues of Thromboxane A2

C Jing, S Mallah, E Kriemen, SH Bennett… - ACS Central …, 2020 - ACS Publications
Platelet activation results in the generation of thromboxane A2 (TxA2), which promotes
thrombus formation by further amplifying platelet function, as well as causing …

Solvent Effect on the Stability and Reverse Substituent Effect in Nitropurine Tautomers

A Jezuita, PA Wieczorkiewicz, H Szatylowicz… - Symmetry, 2021 - mdpi.com
The solvent effect on the stability and electron-accepting properties (EA) of the nitro group
attached to the C2, C6, or C8 position of nitropurine NH tautomers is investigated. For this …

Unraveling the Push‐Pull Effect in Acenes, Polyenes and Polyynes

PA Wieczorkiewicz, M Shahamirian… - … A European Journal, 2024 - Wiley Online Library
Substituent effects (SEs) are fundamental for predicting molecular reactivity, while polyene,
polyyne and acene derivatives are precursors to compounds with diverse applications …