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Towards a parameter-free theory for electrochemical process at the nano-scale
(Trinity College Dublin. School of Physics. Discipline of Physics, 2019)
The mass and charge distribution at electrochemical interfaces plays a key role in driving electrochemical phenomena. However, in spite of its importance, even the structure of the Pt/water interface under bias, the most ...
Nonlinear optical extinction in polymer-carbon nanotube and phthalocyanine systems
(Trinity College (Dublin, Ireland). School of Physics, 2003)
The work presented in this thesis is based on experimental measurements of
nonlinear optical extinction or optical limiting of nanosecond laser pulses by
phthalocyanine and polymer-carbon nanotube systems. The nonlinear ...
Silver Tarnishing Mechanism Revealed by Molecular Dynamics Simulations
(2019)
The mechanism of silver-oxygen and silver-sulphur reactions is revealed by means of molecular
dynamics simulations, performed with reactive force fields purposely built and extensively tested
against quantum chemical ...
The Rate Performance of Two-Dimensional Material-Based Battery Electrodes May Not Be as Good as Commonly Believed
(2020)
Two-dimensional (2D) materials show great potential for use in battery electrodes and are believed to be particularly promising for high-rate applications. However, there does not seem to be much hard evidence for the ...
The physico-chemical properties of fullerenes and porphyrin derivatives deposited on conducting surfaces
(Trinity College (Dublin, Ireland). School of Physics, 2014)
In this thesis, three organic molecules are examined on three distinct surfaces by a variety of surface science techniques, foremost among them being scanning tunneling microscopy (STM). When deposited on the W02/W(110) ...
Visualizing the Mott transition
(2012)
Correlated electronic systems involve strong short-range repulsion. At integer filling, the primary effect of correlation is the emergence of an insulating state where band theory predicts a metal. Understanding the ...
Off-resonance surface plasmon enhanced spontaneous emission from CdTe quantum dots
(2006)
Surface plasmon (SP) enhanced photoluminescence (PL) from CdTe quantum dots (QDs) on monolayers of Au nanoparticles is investigated under both resonant and nonresonant conditions. Enhancement of the QD PL intensity is ...
Selective gene fishing in complex genomic environments using micro-cantilevers : applications in RNAi therapy
(Trinity College (Dublin, Ireland). School of Physics, 2012)
Genes and their role in disease origins and proliferation have been of great interest for
molecular medicine. Their functions and roles have been recently shown to be
moderated by RNA interference (RNAi), a natural phenomenon ...
Cyclic production of biocompatible few-layer graphene ink with in-line shear-mixing for inkjet-printed electrodes and Li-ion energy storage
(2022)
The scalable production of two-dimensional (2D) materials is needed to accelerate their adoption to industry. In this work, we present a low-cost in-line and enclosed process of exfoliation based on high-shear mixing to ...
Toward exact predictions of spin-phonon relaxation times: An ab initio implementation of open quantum systems theory
(2022)
Spin-phonon coupling is the main driver of spin relaxation and decoherence in solid-state semiconductors at finite temperature. Controlling this interaction is a central problem for many disciplines, ranging from magnetic ...