Design and construction of on-surface molecular nanoarchitectures: lessons and trends from trimesic acid and other small carboxlyated building blocks

J MacLeod - Journal of Physics D: Applied Physics, 2019 - iopscience.iop.org
Molecular self-assembly and reactions at surfaces provide a versatile and appealing
approach to nanomaterials synthesis, with a tremendous potential for engineering purpose …

Reactive force field-based molecular dynamics simulations on the thermal stability of trimesic acid on graphene: implications for the design of supramolecular …

DK Jacquelín, FA Soria… - ACS Applied Nano …, 2021 - ACS Publications
In this work, we used the ReaxFF force field to investigate the dynamics of different network
structures of trimesic acid (TMA) molecules on graphene as a function of temperature. We …

Thermodynamics of self-assembled molecular layers of trimesic acid from fields-supported kinetic Monte Carlo simulation

EA Ustinov, VA Gorbunov, SS Akimenko - … Chemistry Chemical Physics, 2022 - pubs.rsc.org
In this study we present a thermodynamic analysis of several self-assembled molecular
layers of trimesic acid (TMA), gas–solid and solid–solid transitions in such layers using the …

Enhancing the Electronic-Coupling and Conductivity of Monolayer Film of Ferrocenyl Molecules by Pd and Cu Doping

SMP Gautam, H Malik, V Meghwal… - Journal of Materials …, 2025 - pubs.rsc.org
Improving the conductivity and modulating the electronic structure of molecular films holds
significance in using them in thin film based electronic applications. In this paper, we create …

Kinetic versus thermodynamic polymorph stabilization of a tri-carboxylic acid derivative at the solid–liquid interface

R Arjariya, G Kaur, S Sen, S Verma, M Lackinger… - Nanoscale, 2023 - pubs.rsc.org
The carboxylic acid moiety gives rise to structural variability in surface-supported self-
assembly due to the common expression of various H-bonding motifs. Self-assembly of 3 …

Comparing Adsorption of an Electron-Rich Triphenylene Derivative: Metallic vs Graphitic Surfaces

J de la Rie, Q Wang, M Enache, M Kivala… - The Journal of …, 2024 - ACS Publications
Crucial to the performance of devices based on organic molecules is an understanding of
how the substrate–molecule interface influences both structural and electronic properties of …

Can We Extract the Molecule–Molecule and Molecule–Surface Interaction Energies of Molecular Adlayer Separately Using Experimental Techniques?

R Arjariya, TG Gopakumar - The Journal of Physical Chemistry C, 2024 - ACS Publications
Understanding the energetics of self-assembled molecular nanostructures on the surface at
a molecular level is of great importance in tuning the microscopic patterns of molecules on …

Microscopic growth of pyridinium oxime based amphipathic on graphite: Effect of relative position of substituents

P Chauhan, P Saha, TG Gopakumar… - … of Surfactants and …, 2025 - Wiley Online Library
Amphipathic molecules with surfactant like properties have several applications ranging
from healthcare to the chemical industry. Their ability to form thin films on surfaces with …

Measuring the intermolecular interactions in molecular patterns on surfaces using microscopy

V Mishra, P Saha, TG Gopakumar - The Journal of Physical …, 2020 - ACS Publications
Understanding the formation and disassembly of molecular adlayer patterns on surfaces at
the molecular level has high fundamental and applied importance. With the combination of …

Incorporation of phenylcarbonyl groups in the sidechain: A tool to induce ordered assembly of peptides on surfaces

M Kalita, K Yadav, A Archana… - Journal of Peptide …, 2024 - Wiley Online Library
The possibility of introducing various functionalities on peptides with relative ease allows
them to be used for molecular applications. However, oligopeptides prepared entirely from …