Lattice‐Confined Pt‐Ru Dual‐Atom Pair by Space Guard for Robust Hydrogen Evolution with Reversible Hydrogen Spillover
Sign Up to like & getrecommendations! Published in 2025 at "Advanced Energy Materials"
DOI: 10.1002/aenm.202502578
Abstract: Tuning the chemical microenvironment of dual‐atom catalysts is a significant challenge in boosting electrocatalytic hydrogen evolution reaction (HER). Here, a “space guarding” strategy is proposed to precisely place Pt‐Ru dual‐atom pair sites confined in W2N… read more here.
Keywords: atom pair; hydrogen; dual atom; hydrogen evolution ... See more keywords
NO Selective Catalytic Reduction over Atom-Pair Active Sites Accelerated via In Situ NO Oxidation.
Sign Up to like & getrecommendations! Published in 2023 at "Environmental science & technology"
DOI: 10.1021/acs.est.3c00461
Abstract: Selective catalytic reduction (SCR) of NOx with NH3 is the most efficient technology for NOx emissions control, but the activity of catalysts decreases exponentially with the decrease in reaction temperature, hindering the application of the… read more here.
Keywords: scr; technology; selective catalytic; atom pair ... See more keywords
Skeletal editing of pyridines through atom-pair swap from CN to CC
Sign Up to like & getrecommendations! Published in 2024 at "Nature Chemistry"
DOI: 10.1038/s41557-023-01428-2
Abstract: Skeletal editing is a straightforward synthetic strategy for precise substitution or rearrangement of atoms in core ring structures of complex molecules; it enables quick diversification of compounds that is not possible by applying peripheral editing… read more here.
Keywords: pair swap; pyridines atom; skeletal editing; diversification ... See more keywords
In vivo activity and atom pair fingerprint analysis of MMV665941 against the apicomplexan parasite Babesia microti, the causative agent of babesiosis in humans and rodents
Sign Up to like & getrecommendations! Published in 2022 at "Pathogens and Global Health"
DOI: 10.1080/20477724.2022.2128571
Abstract: ABSTRACT The effect of MMV665941 on the growth of Babesia microti (B. microti) in mice, was investigated in this study using a fluorescence-based SYBR Green I test. Using atom Pair signatures, we investigated the structural… read more here.
Keywords: mmv665941; growth; babesiosis; microti ... See more keywords
Atom pair bond approach: an efficient method for determining the lattice parameters of NiAs-type compounds and comparative analysis with computational databases
Sign Up to like & getrecommendations! Published in 2024 at "Physica Scripta"
DOI: 10.1088/1402-4896/ad3693
Abstract: Comparison of EOS properties such as lattice parameters, bulk modulus, etc calculated by density functional theory (DFT) with experiments is used, in general, to assess the precision reachable in computations, when using different codes and… read more here.
Keywords: nias type; pair bond; structure; lattice parameters ... See more keywords
Entangled pairs of 2p atoms produced in photodissociation of H2 and D2
Sign Up to like & getrecommendations! Published in 2019 at "Physical Review A"
DOI: 10.1103/physreva.99.063426
Abstract: The angular correlation functions (ACFs) of a pair of Lyman-$\ensuremath{\alpha}$ photons in photodissociation of ${\mathrm{H}}_{2}$ and ${\mathrm{D}}_{2}$ are measured with linearly polarized incident light at a 33.66-eV incident photon energy in a wider angular range… read more here.
Keywords: pair; phantom rule; state; photodissociation ... See more keywords
A novel descriptor based on atom-pair properties
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Cheminformatics"
DOI: 10.1186/s13321-016-0187-6
Abstract: BackgroundMolecular descriptors have been widely used to predict biological activities and physicochemical properties or to analyze chemical libraries on the basis of similarity. Although fingerprints and properties are generally used as descriptors, neither is perfect… read more here.
Keywords: descriptor; pair properties; based atom; atom pair ... See more keywords