Chirality in adsorption on solid surfaces

F Zaera - Chemical Society Reviews, 2017 - pubs.rsc.org
In the present review we survey the main advances made in recent years on the
understanding of chemical chirality at solid surfaces. Chirality is an important topic, made …

Unveiling the emergence of functional materials with STM: metal phthalocyanine on surface architectures

R Sk, A Deshpande - Molecular Systems Design & Engineering, 2019 - pubs.rsc.org
Metal phthalocyanine molecules with their inherent versatility call for an exploration of their
fundamental properties when anchored on conducting substrates for designing new …

2-Butanol aqueous solutions: A combined molecular dynamics and small/wide-angle X-ray scattering study

M Macchiagodena, G Bassu, I Vettori… - The Journal of …, 2022 - ACS Publications
Structural properties of 2-butanol aqueous solutions at different concentrations have been
studied using small-and wide-angle X-ray scattering and molecular dynamics simulations …

A Systematic Search for the Adsorption Motif of All Stereoisomers of Propylene Glycol on a Palladium (111) Surface for Fuel Cell Applications

M Gonzalez, MN Groves - Langmuir, 2022 - ACS Publications
Small organic molecules have been shown to produce sufficient power densities allowing
them to be environmentally friendly renewable fuel sources and an important part of fuel cell …

Disentanglement of orthogonal hydrogen and halogen bonds via natural orbital for chemical valence: A charge displacement analysis

G Ciancaleoni, L Belpassi - Journal of Computational Chemistry, 2020 - Wiley Online Library
As known, the electron density of covalently bound halogen atoms is anisotropically
distributed, making them potentially able to establish many weak interactions, acting at the …

Surface-templated assembly of molecular methanol on the thin film “29” Cu (111) surface oxide

AJ Therrien, AJR Hensley, RT Hannagan… - The Journal of …, 2019 - ACS Publications
Identifying and characterizing the atomic-scale interaction of methanol with oxidized Cu
surfaces is of fundamental relevance to industrial reactions, such as methanol steam …

Associated molecular liquids at the graphene monolayer interface

F Goujon, A Ghoufi, P Malfreyt - The Journal of Chemical Physics, 2021 - pubs.aip.org
We report molecular simulations of the interaction between a graphene sheet and different
liquids such as water, ethanol, and ethylene glycol. We describe the structural arrangements …

Desorption trends of small alcohols and the disruption of intermolecular interactions at defect sites on Au (111)

EM Maxwell, LA Garber, CJ Rogers… - Physical Chemistry …, 2022 - pubs.rsc.org
Gold-based catalysts have received tremendous attention as supports and nanoparticles for
heterogeneous catalysis, in part due to the ability of nanoscale Au to catalyze reactions at …

Understanding enantioselective interactions by pulling apart molecular rotor complexes

AM Larson, K Groden, RT Hannagan, JS McEwen… - ACS …, 2019 - ACS Publications
Enantioselective interactions underpin many important phenomena from biological
mechanisms to chemical catalysis. In this regard, there is great interest in understanding …

Chiral nanoscale pores created during the surface explosion of tartaric acid on Cu (111)

AJ Therrien, TJ Lawton, B Mernoff, FR Lucci… - Chemical …, 2016 - pubs.rsc.org
The autocatalytic decomposition of tartaric acid on Cu (111) exhibits unique kinetics, which
are linked to a hexagonal surface structure adopted at high coverage. The chirality imposed …