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Molecular simulations of carbon allotropes in processes with creation and destruction of chemical bonds
(PERGAMON-ELSEVIER SCIENCE LTD, 2019)
The development of sophisticated interatomic potentials for classical molecular dynamics and Monte Carlo simulations has several advantages, but also some drawbacks. One of them is the increase in their complexity, which ...
Relationship between photo-physical and electrochemical properties of D--A compounds regarding solar cell applications. 1. Substituent type effect in photovoltaic performance
(SPRINGER, 2019)
Studying the electrochemical characteristics is an important step for determining interactions between molecules and the chemical environment. Moreover, the electrochemical evaluation of dyes is highly needed to establish ...
Physical-chemical properties of M@Fe3O4 core@shell nanowires (M = Cu, Co, CoO)
(ROYAL SOC CHEMISTRY, 2019)
Interest in low dimensional magnetic systems has been growing due to the novel and dramatically differentiated effects of their physical properties, which give them special behaviors and uses in biomedical, environmental ...
Electrochemical in situ synthesis of polypyrrole nanowires
(ELSEVIER SCIENCE INC, 2019)
Modification with polypyrrole nanowires, PPy-nw, is accomplished directly upon the working electrode by electrochemical polymerization methods using mesoporous silica as a template. The silica template is prepared by a ...
dsDNA Sensing Capabilities of Metallopolymers Electrochemically Deposited from Ruthenium-Pyrrole and - Thiophene Complexes
(ESG, 2019)
In the current work, a study is presented based on the variation of the monomer unit (thiophene or pyrrole) at electrochemically polymerizable ruthenium complexes, evaluating their possible applications in the field of ...
UV-VIS spectroelectrochemical in situ study during the electrosynthesis of copolymers
(SOC CHILENA QUIMICA, 2019)
In this work, the synthesis of poly(aniline-co-o-methoxyaniline) is performed using purely electrochemical techniques, coupled to UV-vis spectroscopy in situ, in 3D. The electrocopolymerization is carried out on ITO ...
Imogolite in water: Simulating the effects of nanotube curvature on structure and dynamics
(Elsevier BV, 2019-07)
Imogolite is a fascinating inorganic nanotube that is found in nature or synthesized in a laboratory. The synthesis process is carried out in liquid media, and leads to the formation of almost monodisperse diameter nanotubes. ...