Related papers: High-throughput screening and mechanistic insights…
Hypothetical metals having optical absorption losses as low as those of the transparent insulators, if found, could revolutionize optoelectronics. We perform the first high-throughput search for lossless metals among all known inorganic…
Superconducting materials find applications in a rapidly growing number of technological areas, and searching for novel superconductors continues to be a major scientific task. However, the steady increase in the complexity of candidate…
An ideal proton exchange membrane should only permeate protons and be leak tight for fuels. Graphene is impermeable to water and poorly conducting to protons. Here, we chemically functionalized monolayer graphene to install sulfophenylated…
Heterostructures of 2D materials offer a fertile ground to study ion transport and charge storage. Here we employ ab initio molecular dynamics to examine the proton-transfer/diffusion and redox behavior in a water layer confined in the…
A high-performance p-type transparent conductor (TC) does not yet exist, but could lead to advances in a wide range of optoelectronic applications and enable new architectures for, e.g., next-generation photovoltaic (PV) devices.…
An exciting development over the past few decades has been the use of high-throughput computational screening as a means of identifying promising candidate materials for a variety of structural or functional properties. Experimentally, it…
Electrical transport in oxide thin films under high pressure remains largely unexplored due to the lack of a universal experimental strategy. Here we develop an approach that enables high-pressure transport measurements in freestanding…
Solid oxide oxygen ion and proton conductors are a highly important class of materials for renewable energy conversion devices like solid oxide fuel cells. Ba2In2O5 (BIO) exhibits both oxygen ion and proton conduction, in dry and humid…
We employed a machine-learning assisted approach to search for superconducting hydrides under ambient pressure within an extensive dataset comprising over 150 000 compounds. Our investigation yielded around 50 systems with transition…
Finding new materials with previously unknown atomic structure or materials with optimal set of properties for a specific application greatly benefits from computational modeling. Recently, such screening has been dramatically accelerated…
We report the first experimental evidence for a metallic phase in fluid molecular oxygen. Our electrical conductivity measurements of fluid oxygen under dynamic quasi-isentropic compression show that a non-metal/metal transition occurs at…
In this paper we investigated the most important family of proton conducting oxides, i.e. cerates, by means of pair distribution function analysis (PDF) obtained from total neutron scattering data. The results clearly demonstrates that the…
Defect-free graphene is impermeable to all atoms and ions at ambient conditions. Experiments that can resolve gas flows of a few atoms per hour through micrometre-sized membranes found that monocrystalline graphene is completely impermeable…
Superconductivity is one of the most amazing properties that metallic conductors exhibit. Electrical resistance is completely eliminated below the critical temperature (Tc), which is the most important parameter in superconductivity. Since…
We investigate the dynamics of water confined in soft ionic nano-assemblies, an issue critical for a general understanding of the multi-scale structure-function interplay in advanced materials. We focus in particular on hydrated…
Transparent conductors (TC's) combine the usually contraindicated properties of electrical conductivity with optical transparency and are generally made by starting with a transparent insulator and making it conductive via heavy doping, an…
Hydroxide ion transport in anion-exchange membranes fundamentally limits the efficiency of alkaline water electrolysis for green hydrogen production, yet the atomic-scale transport mechanisms remain poorly understood due to the…
Transparent oxides are essential building blocks to many technologies, ranging from components in transparent electronics, transparent conductors, to absorbers and protection layers in photovoltaics and photoelectrochemical devices.…
Two-dimensional crystals with angstrom-scale pores are widely considered as candidates for a next generation of molecular separation technologies aiming to provide extreme, exponentially large selectivity combined with high flow rates. No…
Defect-free monolayers of graphene and hexagonal boron nitride were previously shown to be surprisingly permeable to thermal protons, despite being completely impenetrable to all gases. It remains untested whether small ions can permeate…