Related papers: Optimizing the Ullmann coupling reaction efficienc…
We present the results of calculations of surface relaxations, energetics, and bonding properties for CaTiO3 (001) and (011) surfaces using a hybrid B3PW description of exchange and correlation. We consider both CaO and TiO2 terminations of…
Present study investigates the photoabsorption properties of single crystal rutile TiO2 (110) surfaces after they have been implanted with low fluence of Cobalt ions. The surfaces, after implantation, demonstrate fabrication of…
A direct observation of the deuteron-deuteron (DD) fusion reaction at thermal meV energies, although theoretically possible, is not succeeded up to now. The electron screening effect that reduces the repulsive Coulomb barrier between…
We theoretically investigate the Seebeck and Peltier effect across an interacting quantum dot(QD) coupled between a normal metal and a Bardeen-Cooper-Schrieffer superconductor within the Coulomb blockade regime. Our results demonstrate that…
We create a two-dimensional electron system (2DES) at the interface between EuO, a ferromagnetic insulator, and SrTiO3, a transparent non-magnetic insulator considered the bedrock of oxide-based electronics. This is achieved by a controlled…
The formation of nano-hillocks on CaF2 crystal surfaces by individual ion impact has been studied using medium energy (3 and 5 MeV) highly charged ions (Xe19+ to Xe30+) as well as swift (kinetic energies between 12 and 58 MeV) heavy ions.…
High-entropy materials have emerged as a promising class of catalysts, driven by their high configurational entropy originating from structural disorder in single-phase multicomponent systems. Despite their potential, the catalytic…
We developed a facile and scalable 3-step hydrothermal, electrodeposition, and annealing technique to synthesize a variety of nanowire heterostructures. The heterojunction catalysts of CP-ZnO-MoS2 and CP-ZnO-ZnS-MoS2 both saw an increase in…
Single atom catalysts (SACs) based on 2D materials are identified to be efficient in many catalytic reaction. In this work, the catalytic performance of Pd/Pt embedded planar carbon nitride (CN) for CO oxidation, has been investigated via…
Materials exhibiting topological order host exotic phenomena that could form the basis for novel developments in areas ranging from low-power electronics to quantum computers. The past decade has witnessed multiple experimental realizations…
The interface between a ferromagnetic metal and an organic molecular semiconductor, commonly referred to as a spinterface, is an important component for advancing spintronic technologies. Hybridization of the ferromagnetic-metal surface d…
The discovery of high temperature superconductivity in cuprates was possible only through an intimate knowledge of perovskite oxides which have been synthesized and characterized for decades at the IBM in the Z\"urich laboratoty. Especially…
Photoreforming is a sustainable photocatalytic process that degrades plastic waste while simultaneously producing hydrogen (H2) from water. However, this process has received limited attention due to the scarcity of effective catalysts…
The production of multicarbon (C2+) products through electrocatalytic CO2 reduction reaction (CO2RR) is crucial to addressing global environmental challenges and advancing sustainable energy solutions. However, efficiently producing these…
Electrochemical CO2 reduction is a promising strategy for utilization of CO2 and intermittent excess electricity. Cu is the only single-metal catalyst that can electrochemically convert CO2 to multi-carbon products. However, Cu has an…
It remains an open problem if there are universal scaling functions across a topological quantum phase transition (TPT) without an order parameter, but with extended Fermi surfaces (FS ). Here, we study a simple system of fermions hopping…
Two-dimensional organic porous networks (2DOPNs) have opened new vistas for tailoring the physicochemical characteristics of metallic surfaces. These typically chemically bound nanoporous structures act as periodical quantum wells leading…
Plasmonic metamaterials and metasurfaces offer new opportunities in developing high performance terahertz emitters and detectors beyond the limitations of conventional nonlinear materials. However, simple meta-atoms for second-order…
Here we describe a computational study undertaken in an effort to elucidate the reaction mechanisms behind the experimentally observed oxidations and hydrations catalyzed by graphene oxide (GO). Using the oxidation of benzyl alcohol to…
2D materials with high charge carrier mobility and tunable electronic band gaps have attracted intense research effort for their potential use as active components in nanoelectronics. 2D-conjugated polymers (2DCP) constitute a promising…