Related papers: Operando probing of nanocracking in CuO-derived Cu…
Resonant optical excitation of apical oxygen vibrational modes in the normal state of underdoped YBa2Cu3O6+x induces a transient state with optical properties similar to those of the equilibrium superconducting state. Amongst these, a…
Elucidating the catalytic descriptor that accurately characterizes the structure-activity relationships of typical catalysts for various important heterogeneous catalytic reactions is pivotal for designing high-efficient catalytic systems.…
Pt-based electrocatalysts are the primary choice for fuel cells due to their superior oxygen reduction reaction (ORR) activity. To enhance ORR performance and durability, extensive studies have investigated transition metal alloying,…
We present the fabrication and electrical transport characterization of underdoped YBa$_2$Cu$_3$O$_{7-{\delta}}$ nanowires. The nanowires have been realized without any protective capping layer and they show transport properties similar to…
In underdoped cuprate high $T_{\mathrm{c}}$ superconductors, various local orders and symmetry breaking states, in addition to superconductivity, reside in the CuO$_2$ planes. The confinement of the CuO$_2$ planes can therefore play a…
We report the first study using active-orbital-based and adaptive CC($P$;$Q$) approaches to describe excited electronic states. These CC($P$;$Q$) methodologies are applied, alongside their completely renormalized (CR) coupled-cluster (CC)…
Oxygen evolution reaction (OER) with intractable high overpotential is the rate-limiting step for rechargeable metal-air battery, water electrolysis systems, and solar fuels devices. There exists a spin state transition from spin singlet…
Hydrogen cyanide (HCN) and formaldehyde (H2CO) are key precursors to biomolecules such as nucleobases and amino acids in planetary atmospheres; However, many reactions which produce and destroy these species in atmospheres containing CO2…
Recently discovered class of cobaltate superconductors (Na0.3CoO2.nH2O) is a novel realization of interacting quantum electron systems in a triangular network with low-energy degrees of freedom. We employ angle-resolved photoemission…
Na-ion batteries (NIBs), which are recognized as a next-generation alternative technology for energy storage, still suffer from commercialization constraints due to the lack of low-cost, high-performance cathode materials. Since our first…
Magnetism of a very thin antiferromagnetic (AFM) surface CuO has been investigated with the partially oxidized nanocomposites of Cu-CuCl, ~ 200 nm. The samples are characterized by X-ray diffraction, X-ray photoelectron spectroscopy,…
Critical to the development of improved solid oxide fuel cell (SOFC) technology are novel compounds with high oxygen reduction reaction (ORR) catalytic activity and robust stability under cathode operating conditions. Approximately 2145…
In this paper, we present ab initio computer models of Cu-doped amorphous Ta2O5 , a promising candidate for Conducting Bridge Random Access Memory (CBRAM) memory devices, and study the structural, electronic, charge transport and…
MoS2 nanoparticles are proven catalysts for processes such as hydrodesulphurization and hydrogen evolution, but unravelling their atomic-scale structure under catalytic working conditions has remained significantly challenging. Ambient…
High electric fields can significantly alter catalytic environments and the resultant chemical processes. Such fields arise naturally in biological systems but can also be artificially induced through localized excitations at nanoscale.…
The oxygen evolution reaction (OER) plays an important role in evaluating a photocatalyst and to understand its surface chemistry. In this work we present a comparative study of the OER on the oxide NaTaO$_3$ (113) surface and the…
Catalysis informatics is constantly developing, and significant advances in data mining, molecular simulation, and automation for computational design and high-throughput experimentation have been achieved. However, efforts to reveal the…
Plasmons can drive chemical reactions by directly exciting intramolecular transitions. However, strong coupling of plasmons to single molecules remains a challenge as ultra-small mode volumes are required. In the presented work, we propose…
We report a facile and novel method for the fabrication of Cu2O@PNIPAM core-shell nanoreactors using Cu2O nanocubes as the core. The PNIPAM shell not only effectively protects the Cu2O nanocubes from oxidation, but also improves the…
Topological semimetals with protected surface states mark a new paradigm of research beyond the early landmarks of band-structure engineering, allowing fabrication of efficient catalyst to harness the rich metallic surface states to…