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Ab initio studies of molecular structure and reactivity using spin-coupled valence bond theoryPenotti, F. E. G. January 1987 (has links)
No description available.
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Layer-by-layer assembly of multilayers on carbon surfaces and molecular electronic junctionsXing, Xiao Unknown Date
No description available.
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Layer-by-layer assembly of multilayers on carbon surfaces and molecular electronic junctionsXing, Xiao 06 1900 (has links)
In the research described in this thesis, two molecular layers were successfully anchored on carbon surfaces (pyrolyzed photoresist films, PPFs) sequentially through two independent approaches. The first molecular layer, styrene, was covalently bonded on PPF surfaces via the method of reduction of in situ generated diazonium ions. The resulting molecular films were characterized by AFM measurements, and catechol and ferrocyanide voltammetry. The second molecular layer, ferrocene-thiol, was anchored on top of the first molecular layer through the method of thiol-ene reaction, which is an effective method for building up multilayers through layer-by-layer assembly. As ferrocene is an electrochemically active species, quantitative surface coverage was calculated according to the amount of surface-bound ferrocene through electrochemical measurements. Finally, molecular junctions were fabricated by depositing metal top contacts based on the molecular layers through electron-beam evaporation and the electronic characteristics of these molecular junctions were investigated.
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A Molecular Electronic Transducer based Low-Frequency Accelerometer with Electrolyte Droplet Sensing BodyJanuary 2013 (has links)
abstract: "Sensor Decade" has been labeled on the first decade of the 21st century. Similar to the revolution of micro-computer in 1980s, sensor R&D; developed rapidly during the past 20 years. Hard workings were mainly made to minimize the size of devices with optimal the performance. Efforts to develop the small size devices are mainly concentrated around Micro-electro-mechanical-system (MEMS) technology. MEMS accelerometers are widely published and used in consumer electronics, such as smart phones, gaming consoles, anti-shake camera and vibration detectors. This study represents liquid-state low frequency micro-accelerometer based on molecular electronic transducer (MET), in which inertial mass is not the only but also the conversion of mechanical movement to electric current signal is the main utilization of the ionic liquid. With silicon-based planar micro-fabrication, the device uses a sub-micron liter electrolyte droplet sealed in oil as the sensing body and a MET electrode arrangement which is the anode-cathode-cathode-anode (ACCA) in parallel as the read-out sensing part. In order to sensing the movement of ionic liquid, an imposed electric potential was applied between the anode and the cathode. The electrode reaction, I_3^-+2e^___3I^-, occurs around the cathode which is reverse at the anodes. Obviously, the current magnitude varies with the concentration of ionic liquid, which will be effected by the movement of liquid droplet as the inertial mass. With such structure, the promising performance of the MET device design is to achieve 10.8 V/G (G=9.81 m/s^2) sensitivity at 20 Hz with the bandwidth from 1 Hz to 50 Hz, and a low noise floor of 100 ug/sqrt(Hz) at 20 Hz. / Dissertation/Thesis / M.S. Electrical Engineering 2013
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Molecular Electronic Transducer-Based Seismometer and Accelerometer Fabricated With Micro-Electro-Mechanical Systems TechniquesJanuary 2014 (has links)
abstract: This thesis presents approaches to develop micro seismometers and accelerometers based on molecular electronic transducers (MET) technology using MicroElectroMechanical Systems (MEMS) techniques. MET is a technology applied in seismic instrumentation that proves highly beneficial to planetary seismology. It consists of an electrochemical cell that senses the movement of liquid electrolyte between electrodes by converting it to the output current. MET seismometers have advantages of high sensitivity, low noise floor, small size, absence of fragile mechanical moving parts and independence on the direction of sensitivity axis. By using MEMS techniques, a micro MET seismometer is developed with inter-electrode spacing close to 1μm, which improves the sensitivity of fabricated device to above 3000 V/(m/s^2) under operating bias of 600 mV and input acceleration of 400 μG (G=9.81m/s^2) at 0.32 Hz. The lowered hydrodynamic resistance by increasing the number of channels improves the self-noise to -127 dB equivalent to 44 nG/√Hz at 1 Hz. An alternative approach to build the sensing element of MEMS MET seismometer using SOI process is also presented in this thesis. The significantly increased number of channels is expected to improve the noise performance. Inspired by the advantages of combining MET and MEMS technologies on the development of seismometer, a low frequency accelerometer utilizing MET technology with post-CMOS-compatible fabrication processes is developed. In the fabricated accelerometer, the complicated fabrication of mass-spring system in solid-state MEMS accelerometer is replaced with a much simpler post-CMOS-compatible process containing only deposition of a four-electrode MET structure on a planar substrate, and a liquid inertia mass of an electrolyte droplet encapsulated by oil film. The fabrication process does not involve focused ion beam milling which is used in the micro MET seismometer fabrication, thus the cost is lowered. Furthermore, the planar structure and the novel idea of using an oil film as the sealing diaphragm eliminate the complicated three-dimensional packaging of the seismometer. The fabricated device achieves 10.8 V/G sensitivity at 20 Hz with nearly flat response over the frequency range from 1 Hz to 50 Hz, and a low noise floor of 75 μG/√Hz at 20 Hz. / Dissertation/Thesis / Ph.D. Electrical Engineering 2014
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[en] TRANSPORT PROPERTIES OF NANOSCOPIC SYSTEMS: ATOMS AND MOLECULES / [pt] PROPRIEDADES DE TRANSPORTE DE SISTEMAS NANOSCÓPICOS: ÁTOMOS E MOLÉCULASEDSON VERNEK 16 May 2007 (has links)
[pt] Neste trabalho estudamos o transporte eletrônico em nano-
estruturas de
átomos e moléculas. Utilizando o método das funções de
Green, abordamos
o problema das interações elétron-elétron e elétron-fônon
e seus efeitos na
condutância do sistema. Apresentamos um estudo detalhado
do regime
onde essas duas interações são simultaneamente importantes
e mostramos
que elas produzem novos efeitos nas propriedades do
sistema. Mostramos
que no regime de bloqueamento de Coulomb, o desdobramento
de Rabi
devido á interação elétron-fônon produz um novo efeito na
condutância,
que denominamos de tunelamento Rabi ressonante assistido
por fônons. No
regime de Kondo esse desdobramento é responsável por um
novo fenômeno,
o efeito Kondo de carga não inteira. / [en] In this work we study the electronic transport in atomic
and molecular
structures. By using the Green´s function method, we
address the problem
of the electron-electron and electron-phonon interactions
and their effects
on the conductance of the system. We present a detailed
study of the regime
where these two interactions are simultaneously important
and show that
they produce new effects on the properties of the system.
In the Coulomb
blockadge regime, the Rabi splitting due to the electron-
phonon interaction
produces a new effect in the conductance of nanosystem,
which we called
Rabi-assisted ressonant tunneling. In the Kondo regime,
this splitting is
responsible for a new phenomena, the non integer-charge
Kondo effect.
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General theory of excitation energy transfer in donor-mediator-acceptor systemsKimura, Akihiro 16 April 2009 (has links)
No description available.
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Molecular Electronic Transducer Based Seismic Motion Sensors Micro-Fabrication, Packaging and ValidationJanuary 2016 (has links)
abstract: The instrumentational measurement of seismic motion is important for a wide range of research fields and applications, such as seismology, geology, physics, civil engineering and harsh environment exploration. This report presents series approaches to develop Micro-Electro-Mechanical System (MEMS) enhanced inertial motion sensors including accelerometers, seismometers and inclinometers based on Molecular Electronic Transducers (MET) techniques.
Seismometers based on MET technology are attractive for planetary applications due to their high sensitivity, low noise floor, small size, absence of fragile mechanical moving parts and independence on the direction of sensitivity axis. By using MEMS techniques, a micro MET seismometer is developed with inter-electrode spacing close to 5 μm. The employment of MEMS improves the sensitivity of fabricated device to above 2500 V/(m/s2) under operating bias of 300 mV and input velocity of 8.4μm/s from 0.08Hz to 80Hz. The lowered hydrodynamic resistance by increasing the number of channels improves the self-noise to -135 dB equivalent to 18nG/√Hz (G=9.8m/s2) around 1.2 Hz.
Inspired by the advantages of combining MET and MEMS technologies on the development of seismometer, a feasibility study of development of a low frequency accelerometer utilizing MET technology with post-CMOS-compatible fabrication processes is performed. In the fabricated accelerometer, the complicated fabrication of mass-spring system in solid-state MEMS accelerometer is replaced with a much simpler post-CMOS-compatible process containing only deposition of a four-electrode MET structure on a planar substrate, and a liquid inertia mass of an electrolyte droplet. With a specific design of 3D printing based package and replace water based iodide solution by room temperature ionic liquid based electrolyte, the sensitivity relative to the ground motion can reach 103.69V/g, with the resolution of 5.25μG/√Hz at 1Hz.
By combining MET techniques and Zn-Cu electrochemical cell (Galvanic cell), this letter demonstrates a passive motion sensor powered by self-electrochemistry energy, named “Battery Accelerometer”. The experimental results indicated the peak sensitivity of battery accelerometer at its resonant frequency 18Hz is 10.4V/G with the resolution of 1.71μG without power consumption. / Dissertation/Thesis / Doctoral Dissertation Electrical Engineering 2016
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[en] PRODUCTION AND CHARACTERIZATION OF ORGANIC LIGHT EMITTING DEVICES (OLEDS) BASED ON SUPRAMOLECULAR COMPLEXES / [pt] PRODUÇÃO E CARACTERIZAÇÃO DE DISPOSITIVOS ORGÂNICOS ELETROLUMINESCENTES (OLEDS) BASEADOS EM COMPLEXOS SUPRAMOLECULARESCRISTIANO LEGNANI 06 December 2006 (has links)
[pt] Neste trabalho são apresentados os resultados da produção
e
caracterização de novos dispositivos orgânicos
eletroluminescentes
(OLEDs), que podem ser divididos idealmente em três
grupos. O primeiro
composto pelos OLEDs que utilizam os distirilbenzenos
(DSBs) como
camada eletroluminescente. Os DSBs são sistemas
utilizados
em química
supramolecular como pontes para transferência de carga.
No
segundo
colocamos os OLEDs baseados em 2; 6 - bis(dietanolamina) -
4; 8 -
dipiperidinopirimida (5; 4-d) pirimidina (DIP), que é uma
droga
amplamente conhecida e utilizada no tratamento de doenças
cardiovasculares, que por possuir uma intensa
fluorescência despertou a
curiosidade para investigarmos a possibilidade da sua
utilização com
camada eletroluminescente. A utilização do DIP como camada
eletroluminescente resultou em um OLED com a maior
luminância dos
grupos estudados, 1500 cd/m2. O terceiro grupo é formado
por OLEDs
que utilizam moléculas de calixarenos ([Al . 1]3+ e [Zn .
1]2+
onde 1 = 8-
oxiquinolinacalix[4]areno) como camada transportadora de
elétrons e
eletroluminescente. Foram estudados dois sistemas
calixarenos, o
primeiro sistema é coordenado com alumínio (calix[Al]3+)
e
o segundo
coordenado com zinco (calix[Zn]2+). O sistema calix[Al]3+
apresentou uma
interessante propriedade de cooperação entre o anel
central calix e um
grupamento quinolina coordenado com Al. Utilizando este
mecanismo de
sinergia produzimos um OLED sintonizável, o qual varia o
pico de sua
banda de eletroluminescência de 510 nm pra 470 nm em
função da
tensão aplicada. Desta forma a cor da luz emitida pelo
dispositivo pode
ser variada com continuidade do azul (X=0,26 : Y=0,33
coordenadas CIE)
até o verde claro (X=0,18 : Y=0,25).Todos os sistemas
orgânicos foram
analisados de um ponto de vista térmico através da
analise
de
calorimetria diferencial de varredura (DSC), com a qual
determinamos sua temperatura de transição vítrea (Tg).
Com
o auxilio de medidas
eletroquímicas, estabelecemos um procedimento
experimental
simples e
rápido para determinar os níveis energéticos HOMO
(highest
occupied
molecular orbital) dos materiais orgânicos estudados na
forma de filmes.
Enfim, através da caracterização elétrica foi possível
determinar o tipo de
injeção de portadores que governa os dispositivos bem
como
o modelo
que controla o transporte de cargas no interior dos OLEDs. / [en] In this work the results of the production and
characterization of new
organic electroluminescent devices (OLEDs) are presented
and
discussed. The work can be ideally divided in three parts.
The first is
composed by the OLEDs that use the distyrilbenzene (DSBs)
compounds
as electroluminescent layer. The DSBs are systems used in
supramolecular Chemistry as bridges for load transfer.
This is the first time
that they are used in small molecule OLEDs. The second
part deals with
OLEDs based on dipyridamole (2; 6-bis(diethanolamino) - 4;
8 -
dipiperidinopyrimido (5; 4-d)pyrimidine) (DIP) molecule,
which is a very
well known anti-platelet drug thoroughly used in the
treatment of hearth
diseases that for possessing an intense fluorescence woke
up our
curiosity in order to investigate the possibility of its
use as
electroluminescent layer. The use of DIP as
electroluminescent layer
resulted in a particular OLED with the highest luminance
of the
investigated devices, about 1500 cd/m2. Finally, the third
part involves
OLEDs that use calixarenes molecules [Al . 1]3+ and [Zn . 1]
2+
(1 = 8-
oxyquinolinecalix[4]arene) as electroluminescent and
electron transporting
layer. In this work were studied two calixarenes systems:
the first system
is coordinated with aluminum (calix[Al]3+) and the second
one is
coordinated with zinc (calix[Zn]2+). The first one
presented an interesting
cooperation property among the central calix ring and the
quinolina group
coordinated with the Al metal. Using this synergic
mechanism we were
able to produce a tunable OLED, which electroluminescent
emission
varies continuously from 510 nm to 446 nm as a function of
the applied
bias voltage. All the organic compounds used in this work
were analyzed
from a thermal point of view through a Differential
Scanning Calorimetry
(DSC), in order to determine their transition glass
temperature (Tg). By using electrochemistry measurements
it was possible to establish a
systematic and simple experimental procedure to determine
the HOMO
(highest occupied molecular orbital) energy levels of the
organic materials
studied in the form of films. Finally, through the
electrical characterization it
was possible to determine the type of carrier injection
that governs the
fabricated devices as well as the model that controls the
carrier transport
inside the OLEDs.
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Ionic Liquid/Water/Particle Systems: Fundamentals Through Experiment, Application and SimulationJanuary 2016 (has links)
abstract: Ionic liquids (ILs), or low-temperature liquid salts, are a class of materials with unique and useful properties. Made up entirely of ions, ILs are remarkably tunable and diverse as cations and anions can be mixed and matched to yield desired properties. Because of this, IL/water systems range widely—from homogeneous mixtures to multiphasic systems featuring ionic liquid/liquid interfaces. Even more diversity is added when particles are introduced to these systems, as hard particles or soft-matter microgels interact with both ILs and water in complex ways. This work examines both miscible ionic liquid/water mixture and two-phase, immiscible ionic liquid/water systems. Extensive molecular dynamics (MD) simulations are utilized in conjunction with physical measurements to inform theoretical understanding of the nature of these systems, and this theoretical understanding is related to practical applications—in particular, the development of a low-temperature liquid electrolyte for use in molecular electronic transducer (MET) seismometers, and particle self-assembly and transport at ionic liquid/liquid interfaces such as those in Pickering emulsions.
The homogenous mixture of 1-butyl-3-methylimidazolium iodide and water is examined extensively through MD as well as physical characterization of properties. Molecular ordering within the liquid mixture is related to macroscopic properties. These mixtures are then used as the basis of an electrolyte with unusual characteristics, specifically a wide liquid temperature range with an extremely low lower bound combined with relatively low viscosity allowing excellent performance in the MET sensor. Electrolyte performance is further improved by the addition of fullerene nanoparticles, which dramatically increase device sensitivity. The reasons behind this effect are explored by testing the effect of graphene surface size and through MD simulations of fullerene and a silica nanoparticle (for contrast) in [BMIM][I]/water mixtures.
Immiscible ionic liquid/water systems are explored through MD studies of particles at IL/water interfaces. By increasing the concentration of hydrophobic nanoparticles at the IL/water interface, one study discovers the formation of a commingled IL/water/particle pseudo-phase, and relates this discovery to previously-observed unique behaviors of these interfaces, particularly spontaneous particle transport across the interface. The other study demonstrates that IL hydrophobicity can influence the deformation of thermo-responsive soft particles at the liquid/liquid interface. / Dissertation/Thesis / Doctoral Dissertation Chemical Engineering 2016
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