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The magnetic transition-metal (TM) @ oxide nanoparticles have been of great interest due to their wide range of applications, from medical sensors in magnetic resonance imaging to photo-catalysis. Although several studies on small clusters…
This work summarizes recent development in the filed of nanocrystal and their use for optoelectronics. After the introduction on nanocrystals and their transport properties, the manuscript is splitted in three parts : (i) narrow abnd gap…
Sodium-titanate \ce{Na2Ti3O7} (NTO) is regarded as a highly promising anode material with a very low voltage for Na-ion batteries and capacitors, but suffered from relatively low specific capacity and poor electron conductivity. Here we…
Helium nanodroplets are widely used as a cold, weakly interacting matrix for spectroscopy of embedded species. In this work we excite or ionize doped He droplets using synchrotron radiation and study the effect onto the dopant atoms…
As renewable energy is becoming a critical energy source to meet the global demand, electrochemical energy storage devices become indispensable for the efficient energy storage and reliable supply. The electrode material is the key factor…
The electronic transport and the sensing performance of an individual SnO2 crossed nanowires device in a three-terminal field effect configuration were investigated using a combination of macroscopic transport measurements and Scanning…
Photocatalytic materials are pivotal for the implementation of disruptive clean energy applications such as conversion of H$_{2}$O and CO$_{2}$ into fuels and chemicals driven by solar energy. However, efficient and cost-effective materials…
Surface charging is a phenomenon ubiquitously observable in in-situ transmission electron microscopy of non-conducting specimens as a result of electron beam/sample interactions or optical stimuli and often limits the achievable image…
Theoretical modeling of electroosmosis through conducting (ideally polarizable) nanochannels is reported. Based on the theory of induced charge electrokinetics, a novel nanofluidic system which possesses both adjustable ion selective…
We investigate from first-principles many-body theory the role of the donor conjugation length in doped organic semiconductors forming charge-transfer complexes (CTCs) exhibiting partial charge transfer. We consider oligothiophenes (nT)…
Charge transfer in type-II heterostructures plays important roles in determining device performance for photovoltaic and photocatalytic applications. However, current theoretical studies of charge transfer process don't consider the effects…
In bulk semiconductor materials, the insulator-metal transition (IMT) is governed by the concentration of conduction electrons. Meanwhile, even when fabricated from metallic building blocks, nanocrystal films are often insulating with…
The ultrathin nature of two-dimensional monolayer semiconductors yields optoelectronic properties which are highly responsive to changes in free-carrier density, making it imperative to masterfully control their doping levels. We report a…
Key to advancing lithium-ion battery technology, and in particular fast charging capabilities, is our ability to follow and understand the dynamic processes occurring in operating materials under realistic conditions, in real time, and on…
Using Density functional theory (DFT) in conjunction with a solvation model we have investigated the phenomenon of eletrode-electrolyte interaction at the electrode surface and its consequences on the electrochemical properties like the…
Hybrid van der Waals heterostructures of organic semiconductors and transition metal dichalcogenides (TMDs) are promising candidates for various optoelectronic devices, such as solar cells and biosensors. Energy-transfer processes in these…
The process of electron multiplication through the bouncing-like accelerated motion of electrons inside nanovoids formed owing to external electric fields in bulk liquid water is investigated using Monte Carlo simulations in Geant4-DNA. Our…
Photo-ionization induced ultrafast electron dynamics is considered as a precursor to the slower nuclear dynamics associated with molecular dissociation. Here, using ab initio multielectron wave-packet propagation method, we study the…
Although physisorption is a widely occurring mechanism of bonding at the organic/metal interface, contradictory interpretations of this phenomenon are often reported. Photoemission and X-ray absorption spectroscopy investigations of…
Alkali metal dimers attached to the surface of helium nanodroplets are found to be efficiently doubly ionized by electron transfer-mediated decay (ETMD) when photoionizing the helium droplets. This process is evidenced by detecting in…