Improved charge extraction in inverted perovskite solar cells with dual-site-binding ligands
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 …
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 …
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 …
terms in organic chemistry and related fields. The quantitative description of aromaticity is …
[HTML][HTML] Effect of surface functional groups on MXene conductivity
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 …
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 …
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 …
enhanced Raman scattering (SERS) has been characterized using a theoretical approach …
Corrosion Protective Coatings from Poly (heterocyclic diphenylamine): Polyaniline Analogues
This study explores conducting polymers with side chains containing long, branched alkyl
groups as candidates for corrosion suppression coatings. These polymers, containing …
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 …
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 …
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 …
polyyne and acene derivatives are precursors to compounds with diverse applications …