Hierarchical flowerlike magnesium oxide hollow spheres with extremely high surface area for adsorption and catalysis

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Renewable energy supply and energy storage in a closed materials cycle are the urgent global challenges of the 21st century. Carbon dioxide (CO2) hydrogenation over catalysts is a method to produce synthetic fuels from renewable energy in a CO2 neutral cyc ...

We use Ca doping during growth of one- and two-monolayer-thick MgO films on Ag(100) to identify the adsorption sites of individual adatoms with scanning tunnelingmicroscopy. For thiswe combine atomic resolution images of the bare MgO layer with images of t ...

This study focuses on Butyraldehyde (C4H8O) degradation using catalytic ozonation oriented to the optimization of non-thermal plasma/photocatalytic coupled processes. After the first oxidation by non-thermal plasma coupled photocatalytic processes, a secon ...

Boron doped graphene oxide (B-GO) is a highly effective adsorbent for ammonia due to the high density of strong Lewis acid sites arising from the boron. GO was doped by various amounts of boron described as xB-GO (x= 1.0, 3.0, and 5.0). B-GO was successful ...

The methane deliverable capacity of adsorbent materials is a critical performance metric that will determine the viability of using adsorbed natural gas (ANG) technology in vehicular applications. ARPA-E recently set a target deliverable capacity of 315 cc ...

Density functional theory calculations have been used to investigate the adsorption of ethylene on Pd nanoclusters together with shifts in core-level binding energies of Pd atoms bonded to the adsorbate. The adsorption energy is found to correlate with the ...

Chemical reactions at the gas–surface interface are ubiquitous in the chemical industry as well as in nature. Investigating these processes at a microscopic, quantum state–resolved level helps develop a predictive understanding of this important class of r ...

perform DFT calculations within the COSMO framework to study the adsorption properties of the CaHPOx (x = 1,...,4) phosphate family, and of the related HPOx acids, on a paradigmatic anatase (001) surface. Of particular interest is CaHPO4, a precursor of hy ...

Herein we present a detailed study of the hydrogen adsorption properties of Cu‐BTTri, a robust crystalline metal–organic framework containing open metal‐coordination sites. Diffraction techniques, carried out on the activated framework, reveal a structure ...

We report a combined experimental and theoretical study comparing methane dissociation on three di erent platinum surfaces Pt(111), Pt(211), and Pt(110)-(1 × 2). Re ection absorption infrared spectroscopy (RAIRS) was used to detect chemisorbed methyl speci ...

With the growth of natural gas as an energy source, upgrading CO2-contaminated supplies has become increasingly important. Here we develop a single metric that captures how well an adsorbent performs the separation of CH4 and CO2, and we then use this metr ...

We report the increased level of mechanistic information that Raman spectroscopy can provide when combined with modulated excitation experimentation. A V2O5/TiO2 catalyst for the selective catalytic reduction (SCR) of NO, was subjected to periodic NH3 puls ...

Molecular simulations with periodic boundary conditions require the definition of a certain cutoff radius, r(c) beyond which pairwise dispersion interactions are neglected. For the simulation of homogeneous phases the use of tail corrections is well-establ ...

Portlandite (Ca(OH)(2), CH) is the second most abundant hydrate formed in the reaction of Portland cement with water, making it an important component in the built environment. Formation of CH is closely linked to the growth of the main hydrate phase, calc ...

Ammonia (NH3) is one of the most significant industrial chemical products due to its wide applications in various fields. However, the production of NH3 from the electrochemical nitrogen (N-2) reduction reaction (NRR) under ambient conditions is one of the ...

Novel efficient adsorbents for acetaldehyde removal from diluted gas streams (similar to 1300 ppmv) have been developed. The adsorbents combine the properties of activated carbon fibers (ACF) and nanoparticles (NPs) of basic metal oxides (La2O3, CaO, MgO, ...

Hierarchical flowerlike magnesium oxide hollow spheres with extremely high surface area for adsorption and catalysis

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Mechanisms of the Heterogeneously Catalyzed Reaction of CO2 Hydrogenation on Transition Metal Surfaces

Adsorption sites of individual metal atoms on ultrathin MgO(100) films

Synergism between non-thermal plasma and photocatalysis: Implicationsin the post discharge of ozone at a pilot scale in a catalytic fixed-bed reactor

Effect of Boron Doping On Graphene Oxide for Ammonia Adsorption

Impact of the strength and spatial distribution of adsorption sites on methane deliverable capacity in nanoporous materials

Correlation between Ethylene Adsorption Energies and Core-Level Shifts for Pd Nanoclusters

Quantum State–Resolved Studies of Chemisorption Reactions

Adsorption of HPDX and CaHPOx (x=1, ...,4) molecules on anatase TiO2 (001) surfaces

An In-Situ Neutron Diffraction and DFT Study of Hydrogen Adsorption in a Sodalite-Type Metal-Organic Framework, Cu-BTTri

Site Selective Detection of Methane Dissociation on Stepped Pt Surfaces

High-throughput computational screening of nanoporous adsorbents for CO2 capture from natural gas

Modulated Excitation Raman Spectroscopy of V2O5/TiO2: Mechanistic Insights into the Selective Catalytic Reduction of NO with NH3

Applicability of Tail Corrections in the Molecular Simulations of Porous Materials

Atomistic Simulations of Silicate Species Interaction with Portlandite Surfaces

Single molybdenum center supported on N-doped black phosphorus as an efficient electrocatalyst for nitrogen fixation

Activated carbon fibers modified by metal oxide as effective structured adsorbents for acetaldehyde