Unveiling the emergence of functional materials with STM: metal phthalocyanine on surface architectures
Metal phthalocyanine molecules with their inherent versatility call for an exploration of their
fundamental properties when anchored on conducting substrates for designing new …
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 …
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 …
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
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 …
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
Identifying and characterizing the atomic-scale interaction of methanol with oxidized Cu
surfaces is of fundamental relevance to industrial reactions, such as methanol steam …
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 …
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 …
heterogeneous catalysis, in part due to the ability of nanoscale Au to catalyze reactions at …
Understanding enantioselective interactions by pulling apart molecular rotor complexes
Enantioselective interactions underpin many important phenomena from biological
mechanisms to chemical catalysis. In this regard, there is great interest in understanding …
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)
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 …
are linked to a hexagonal surface structure adopted at high coverage. The chirality imposed …