Materials Literature
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We have studied the incommensurate moir\'e structure of epitaxial graphene grown on iridium(111) by dynamic low-energy electron diffraction [LEED $I$($V$)] and noncontact atomic force microscopy (AFM) with a CO-terminated tip. Our LEED $I$($V$) results yield the average positions of all the atoms in the surface unit c…
A combination of experimental measurements and numerical simulations are used to characterize the mechanical and electrochemical response of thin film amorphous Si electrodes during cyclic lithiation. Parameters extracted from the experiment include the variation of elastic modulus and the flow stress as functions of…
When low-energy He ions are scattered from a Ge surface, the fraction of positive ions exhibits characteristic oscillations as a function of ion energy. These oscillations are caused by quasi-resonant neutralization (qRN), a process which can be observed for materials with a narrow band nearly resonant with the unpert…
We investigate the details of the electronic structure in the neighborhoods of a carbon atom vacancy in graphene by employing magnetization-constrained density-functional theory on periodic slabs, and spin-exact, multireference, second-order perturbation theory on a finite cluster. The picture that emerges is that of…
We present classical molecular dynamics calculations of the behavior of copper and gold nanoparticles on a graphene sheet, sheared with a constant applied force $F_{\rm a}$. The force $F_{\rm s}$ acting on the particle from the substrate depends on the material of the nanoparticles (Au or Cu), and exhibits a sawtooth…
Catalysis is one of the key technologies for the 21st century for achieving the required sustainability of chemical processes. Critical improvements are based on the development of new catalysts and catalytic concepts. In this context, gold holds great promise because it is more active and selective than other preciou…
This feature article gives an overview of the recent advances in the use of carbonaceous hydrogels and aerogels for supercapacitors.
We experimentally investigated remotely excited Raman optical activity (ROA) using propagating surface plasmons in chiral Ag nanowires. Using chiral fmoc-glycyl-glycine-OH (FGGO) molecules, we first studied the local surface plasmon-enhanced ROA. We found that the Raman intensity can be excited by left- and right-circ…
Transition metal layered double hydroxides (LDHs) are one of the great potential electrode materials for pseudocapacitors. However, the aggregation and low conductivity of these metal compounds will constrain electrolyte ion and electron transfer and further affect their electrochemical performances. The nano-structur…
We present a quantitative analysis of the electron transfer between single gold nanorods and monolayer graphene under no electrical bias. Using single-particle dark-field scattering and photoluminescence spectroscopy to access the homogeneous linewidth, we observe broadening of the surface plasmon resonance for gold n…
Clinopyroxenes along the Jervisite (NaScSi2O6)-Diopside (CaMgSi2O6) join have been studied, and a solid-solution of the type (Na(1-x)Ca(x))(Sc(1-x)Mg(x))Si2O6 has been identified in the full range of 0 ≤ x ≤ 1. The powder X-ray patterns of all the phases indicate a structural similarity to the end compounds and show s…
Cerium oxide nanoparticles (nCeO2) have been shown to have significant interactions in plants; however, there are limited reports on their impacts in rice (Oryza sativa). Given the widespread environmental dispersal of nCeO2, it is paramount to understand its biochemical and molecular impacts on a globally important a…
The combination of Pb(2+) cations with lone-pair electrons and F(-) anions with the largest electronegativity into the carbonate generates a new nonlinear optical material, CsPbCO3F, with the largest powder second-harmonic generation (SHG) response among carbonates of about 13.4 times that of KDP (KH2PO4), and transpa…
Hydrogen is considered to be a crucial clean energy for the future. As alternatives to Pt for the catalysis of the H2 evolution reaction (HER), transition metal dichalcogenides (TMDs) have shown great promise. In particular, significant new developments involving 2D layered TMDs have been recently reported. This highl…
Monolayer WS2 (1L-WS2), with a direct band gap, provides an ideal platform to investigate unique properties of two-dimensional semiconductors. In this work, light emission of a 1L-WS2 triangle has been studied by using steady-state, time-resolved, and temperature-dependent photoluminescence (PL) spectroscopy. Two grou…
Cerium oxide nanoparticles are potent antioxidants, based on their ability to either donate or receive electrons as they alternate between the +3 and +4 valence states. The dual oxidation state of ceria has made it an ideal catalyst in industrial applications, and more recently, nanoceria's efficacy in neutralizing bi…
A rigorous, general, and simple method to fit global and permutation invariant potential energy surfaces (PESs) using neural networks (NNs) is discussed. This so-called permutation invariant polynomial neural network (PIP-NN) method imposes permutation symmetry by using in its input a set of symmetry functions based o…
For important chemical reactions that are catalyzed by single-site metal centers, such as the water-gas shift (WGS) reaction that converts carbon monoxide and water to hydrogen and carbon dioxide, atomically dispersed supported metal catalysts offer maximum atom efficiency. Researchers have found that for platinum met…
Chemical transformations of silver nanoparticles (Ag NPs) and zinc oxide nanoparticles (ZnO NPs) during wastewater treatment and sludge treatment must be characterized to accurately assess the risks that these nanomaterials pose from land application of biosolids. Here, X-ray absorption spectroscopy (XAS) and supporti…
the landfill leachate was disposed by Catalytic Wet Air Oxidation (CWAO) method, and the monitoring indexes include COD Cr , decolorization and pH. The results showed that the COD Cr removal rate and the decolorization rate of landfill leachate increased with the increase of reaction temperature and reaction pressure.…