Insights into electroreductive dehalogenation mechanisms of chlorinated environmental pollutants

H Yin, X Cao, C Lei, W Chen, B Huang - ChemElectroChem, 2020 - Wiley Online Library
The electroreductive cleavage of carbon‐chloro bonds has attracted increasing attention
from both environmental and mechanistic points of view over the past decades, taking into …

[HTML][HTML] Unusual thermal properties of graphene origami crease: A molecular dynamics study

N Wei, Y Chen, K Cai, Y Zhang, Q Pei, JC Zheng… - Green Energy & …, 2022 - Elsevier
Graphene is a two-dimensional material that can be folded into diverse and yet interesting
nanostructures like macro-scale paper origami. Folding of graphene not only makes different …

On/off switchable interfacial thermal resistance in graphene/fullerene/graphene heterostructures

Y Xue, HS Park, JW Jiang - International Journal of Heat and Mass Transfer, 2023 - Elsevier
Switchable thermal devices are attracting significant research interest as a basic thermal
management component. In this work, taking graphene/fullerene/graphene sandwiches as …

Dissociative electron transfer in polychlorinated aromatics. Reduction potentials from convolution analysis and quantum chemical calculations

PP Romańczyk, G Rotko, SS Kurek - Physical Chemistry Chemical …, 2016 - pubs.rsc.org
Formal potentials of the first reduction leading to dechlorination in dimethylformamide were
obtained from convolution analysis of voltammetric data and confirmed by quantum …

Uncovering the intrinsic relationship of electrocatalysis and molecular electrochemistry for dissociative electron transfer to polychloroethanes at silver cathode

B Huang, Y Zhu, J Li, G Zeng, C Lei - Electrochimica Acta, 2017 - Elsevier
The relationship between electrocatalysis and molecular electrochemistry for the reductive
dechlorination of organic chlorides has been a central topic for decades. Herein, we try to …

On the role of noncovalent interactions in electrocatalysis. Two cases of mediated reductive dehalogenation

PP Romańczyk, K Noga, M Radoń, G Rotko… - Electrochimica Acta, 2013 - Elsevier
Two cases of mediated electron transfer are presented: chloroform reduction catalysed by
Mo II/I alkoxy scorpionates and debromination of hexabromocyclododecane (HBCD) in the …

The effect of C− H··· O bonding and Cl··· π interactions in electrocatalytic dehalogenation of C2 chlorides containing an acidic hydrogen

PP Romańczyk, G Rotko, K Noga, M Radoń… - Electrochimica …, 2014 - Elsevier
A tungsten alkoxy scorpionate shows activity in the electrocatalytic reductive dehalogenation
of pentachloroethane and trichloroethylene owing to the formation of hydrogen and halogen …

Molecular Electrochemistry of Coordination Compounds—A Correlation Between Quantum Chemical Calculations and Experiment

PP Romańczyk, SS Kurek - Transition Metals in Coordination …, 2019 - Springer
This contribution shows how molecular electrochemistry may benefit from the application of
DFT methods combined with implicit solvent models. The progress in quantum chemical …

Application of Metal–Organic Frameworks in CO2 Capture and Conversion

L Zhang, J Liu, CY Su - 2019 - books.rsc.org
Our environment and lives have been seriously influenced by anthropogenic CO2
emissions. The Intergovernmental Panel on Climate Change (IPCC) reported that the …

[TXT][TXT] Dziękuję dr. hab. Piotrowi Romańczykowi bez którego eksperymentów nie miałbym z czym konfrontować wyników obliczeń oraz za stymulujące spotkania i …

K Noga - ruj.uj.edu.pl
Związki o mieszanej wartościowości są dobrymi modelami do badań nad zjawiskiem
transferu elektronu. W zależności od układu niesparowany elektron może być …