相关论文: Electronic Defects in Metal Oxide Photocatalysts

Subwavelength arrays of atoms trapped in optical lattices or tweezers are inherently susceptible to deformations: Optomechanical forces produce lattice distortions, which, in turn, modify the optical response of the array. We show that this…

Every electron crystallography experiment is fundamentally limited by radiation damage. Nevertheless, little is known about the onset and progression of radiolysis in beam-sensitive molecular crystals. Here we apply ambient-temperature…

Point defect tolerance in materials, which extends operational lifetime, is essential for societal sustainability, and the creation of a framework to design such properties is a grand challenge in the material sciences. Using three…

Polaritons, formed as a result of strong hybridization of matter with light, are promising for important applications including organic solar cells, optical logic gates, and qubits. Owing to large binding energies of Frenkel excitons…

The last two decades, in particular, have witnessed a large volume of research revolving around structure-property correlation in Carbon based nanocomposites, synthesized by several methods.In the simplest of terms, the electronic…

Optically active defects often play a crucial role in governing the light emission as well as the electronic properties of materials. Moreover, defect-mediated states in the mid-gap region can trap electrons, thus opening a path for the…

Methane (CH4) formation from photocatalytic carbon dioxide (CO2) conversion in water is currently of interest because methane is a fuel, and it can also be transformed into other useful hydrocarbons. However, achieving high selectivity to…

We present a multiscale atomistic-to-continuum method for ionic crystals with defects. Defects often play a central role in ionic and electronic solids, not only to limit reliability, but more importantly to enable the functionalities that…

Perovskite solar cells have shown fast deterioration during actual operation even with encapsulation, but its mechanism has been elusive. We found the fundamental mechanism for irreversible degradation of perovskite materials in which…

Chalcogenide perovskites, such as BaZrS$_3$, are emerging semiconductors with potential for high photovoltaic power conversion efficiency. The role of defects in the efficiency of the generation and collection of photo-excited carriers has…

Ferroelectric materials are characterized by a spontaneous polar distortion. The behavior of such distortions in the presence of free charge is the key to the physics of metallized ferroelectrics in particular, and of structurally-polar…

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…

Perovskite solar cells have drawn much attention in recent years, owing to its world-record setting photovoltaic performances. Despite its promising use in tandem applications and flexible devices, its practicality is still limited by its…

Understanding the intricate relation between illumination and temperature in metallic nano-particles is crucial for elucidating the role of illumination in various physical processes which rely on plasmonic enhancement but are also…

Metal nanoparticles are receiving increased scientific attention owing to their unique physical and chemical properties that make them suitable for a wide range of applications in diverse fields, such as electrochemistry, biochemistry, and…

We review existing manifestations and prospects for ferroelectricity in electronically and optically active carbon-based materials. The focus point is the proposal for the electronic ferroelectricity in conjugated polymers from the family…

We review studies of the electromagnetic response of various classes of correlated electron materials including transition metal oxides, organic and molecular conductors, intermetallic compounds with $d$- and $f$-electrons as well as…

Defects change essentially not only electronic but also chemical properties of graphene being centers of its chemical activity. Their functionalization is a way to modify electronic and crystal structure of graphene which may be important…

Defects are inevitably present in two-dimensional (2D) materials and usually govern their various properties. Here a comprehensive density functional theory-based investigation of 7 kinds of point defects in a recently produced {\gamma}…

It is unmistakably paradoxical that the weakest point of the photoactive organic-inorganic hybrid perovskite is its instability against light. Why and how perovskites break down under light irradiation and what happens at the atomistic…