Related papers: Surface Restructuring of Nickel Sulfide Generates …
Nickelates are a rich class of materials, ranging from insulating magnets to superconductors. But for stoichiometric materials, insulating behavior is the norm, as for most late transition metal oxides. Notable exceptions are the 3D…
Perovskite photoelectrodes are being extensively studied in search for photocatalytic materials that can produce hydrogen through water splitting. The solar-to-hydrogen efficiency of these materials is critically dependent on the…
Nickel-based layered double hydroxides (LDHs) are promising electrode materials in the fields of energy storage (supercapacitors) and conversion (urea oxidation). The rational construction of atomic and electronic structure is crucial for…
Atomically engineered oxide multilayers and superlattices display unique properties responsive to the electronic and atomic structures of the interfaces. We have followed the growth of ferroelectric BaTiO3 on SrRuO3 electrode with in situ…
The recent discovery of pressure-induced superconductivity in La$_3$Ni$_2$O$_7$ has established a novel platform for studying unconventional superconductors. However, achieving superconductivity in this system currently requires relatively…
We theoretically investigate surface modifications on alkaline earth halides due to highly charged ion impact, focusing on recent experimental evidence for both etch pit and nano-hillock formation on CaF2 [A. El-Said et al, PRL 109, 117602…
The ability to efficiently evolve hydrogen via electrocatalysis at low overpotentials holds tremendous promise for clean energy. Hydrogen evolution reaction (HER) can be easily achieved from water if a voltage above the thermodynamic…
Heterogeneous nucleation on catalytic surfaces plunged into a fluid is described through a stochastic model. To generate this non-equilibrium process we assume that the turn on of a electrostatic potential triggers a complex dynamics that…
Transition-metal dichalcogenide IrTe2 has attracted attention because of striped lattice, charge ordering and superconductivity. We have investigated the surface structure of IrTe2, using low energy electron diffraction (LEED) and scanning…
Using density-functional theory we assess the stability of bulk and surface oxides of the late 4d transition metals in a ``constrained equilibrium'' with a gas phase formed of O2 and CO. While the stability range of the most stable bulk…
Electrocatalyst surfaces continuously reorganize on the timescale of catalytic turnover, obscuring the identification of active sites under operando conditions and hindering rational catalyst design. Here, we resolve the operando Cu(111)…
As progress is made on thin-film synthesis of Heusler compounds, a more complete understanding of the surface will be required to control their properties, especially as functional heterostructures are explored. Here, the surface…
Iron oxides (FeOx) are among the most common support materials utilized in single atom catalysis. The support is nominally Fe2O3, but strongly reductive treatments are usually applied to activate the as-synthesized catalyst prior to use.…
The CO_{2} electro-reduction reaction (CORR) is a promising avenue to convert greenhouse gases into high-value fuels and chemicals, in addition to being an attractive method for storing intermittent renewable energy. Although…
Binary transition metal chalcogenides have attracted increasing attention for their unique structural and electronic properties. High pressure is powerful tool for tuning their crystal structure and electronic structure away from their…
We conduct first-principles simulations of La$_3$Ni$_2$O$_7$, a nickelate in which recent experiments have shown signs of high-temperature superconductivity. Within the hydrostatic pressure range where superconductivity is observed, we find…
Layered double-hydroxides (LDHs) are superior to the conventional (Transition Metal Oxides) TMOs as their lamellar morphology accommodates higher active sites contributing to the facile electron transfer towards the material degradation…
This study presents a three-dimensional electrode for hydrogen evolution reaction (HER), tackling challenges in corrosion resistance, catalytic activity, and durability. The electrode features a rod-connected diamond structure made of…
Gaining fundamental understanding of crystal nucleation processes in metal alloys is crucial for the development and design of high-performance materials with targeted properties. Yet, crystallization is a complex non-equilibrium process…
Metal/oxide support perimeter sites are known to provide unique properties because the nearby metal changes the local environment on the support surface. In particular, the electron scavenger effect reduces the energy necessary for surface…