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We analyze the simplest problem of electrochemical relaxation in more than one dimension - the response of an uncharged, ideally polarizable metallic sphere (or cylinder) in a symmetric, binary electrolyte to a uniform electric field. In…
Nanoconfinement generally leads to drastic effect on the physical and chemical properties of ionic liquids. Here we investigate how the electrochemical reactivity in such media may be impacted inside nanoporous carbon electrodes. To this…
A novel technique to deposit metals on highly conjugated polyaniline films has been developed. In general, electrodeposition of metals, having low reduction potential, from aqueous solution, is difficult due to disruptive effect of hydrogen…
We concentrate here on photon absorption as well as electron and positron scattering upon endohedrals that consist of a fullerenes shell and an inner atom A. The aim is to understand the effect of fullerene electron shell in formation of…
We derive the exact reduced density matrix for the electrons in an analytically solvable electron-phonon model. Here, the electrons are described as a Luttinger liquid that is coupled to Einstein phonons. We further derive analytical…
Where and how flares efficiently accelerate charged particles remains an unresolved question. Recent studies revealed that a "magnetic bottle" structure, which forms near the bottom of a large-scale reconnection current sheet above the…
Recent advances in continuum embedding models have enabled the incorporation of solvent and electrolyte effects into density functional theory (DFT) simulations of material surfaces, significantly benefiting electrochemistry, catalysis, and…
Quantum entanglement is a concept commonly used with reference to the existence of certain correlations in quantum systems that have no classical interpretation. It is a useful resource to enhance the mutual information of memory channels…
Dissociative electron attachment, that is, the cleavage of chemical bonds induced by low-energy electrons, is difficult to model with standard quantum-chemical methods because the involved anions are not bound but subject to autodetachment.…
The complex nature of electron-electron correlations is made manifest in the very simple but non-trivial problem of two electrons confined within a sphere. The description of highly non-local correlation and self-interaction effects by…
Near-room-temperature electronic transport of annealing induced semiconducting crystallites embedded within its amorphous counterpart is treated within the effective-medium approach. As such, the mixtures transport coefficients become…
We present a general multi-component density functional theory in which electrons and nuclei are treated completely quantum mechanically, without the use of a Born-Oppenheimer approximation. The two fundamental quantities in terms of which…
Energy storage and release in dielectric materials can be described on the basis of the charge trapping mechanism. Most phenomenological aspects have been recently rationalized in terms of the space charge model~\cite{blaise,blaise1}.…
In multipole-bound anions, the excess electron is attached by a short-range multipole potential of a neutral molecule. Such anions are prototypical marginally-bound open quantum systems. In particular, around the critical multipole moment…
Electrides are exotic compounds in which excess electrons occupy interstitial regions of the crystal lattice and serve as anions, exhibiting exceptional properties such as low work function, high electron mobility, and strong catalytic…
The behavior of an excess electron in a one, two and three dimensional classical liquid has been studied with the aid of Chandler, Singh and Richardson (CSR) theory [J. Chem. Phys. {\bf 81} 1975 (1984)] . The size or dispersion of the…
We consider the problem of electron transport along a one-dimensional disordered multiple-scattering conductor, and study the electron density for all the electronic levels. A model is proposed for the reduced density matrix of the system…
Recent SO(3)-equivariant models embedded a molecule as a set of single atoms fixed in the three-dimensional space, which is analogous to a ball-and-stick view. This perspective provides a concise view of atom arrangements, however, the…
Quantum field-theory is developed for treating electrons and holes in planar systems. Non-unitary representations of Dirac equation in the plane are developed. These equations can be used for treating holes-electron pairing in high TC…
The solvation structure of protons in aqueous media is highly relevant to electric properties and to proton transport in liquids and membranes. At ambient temperature, polar liquids display structural fluctuations on femto- to picosecond…