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Published in 2022 at "Small"
DOI: 10.1002/smll.202203331
Abstract: Nanocrystalline ZnO sponges doped with 5 mol% EuO1.5 are obtained by heating metal-salt complex based precursor pastes at 200-900 °C for 3 min. X-ray diffraction, transmission electron microscopy, and extended X-ray absorption fine structure (EXAFS) show that…
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Keywords:
structure;
oxide clusters;
molecule like;
zno ... See more keywords
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Published in 2018 at "Theoretical Chemistry Accounts"
DOI: 10.1007/s00214-018-2231-2
Abstract: A theoretical study of nanoparticles of indium oxide, one of the most relevant transparent conducting materials, is reported. By means of Density Functional Theory in the generalized gradient approximation, we investigated the atomic and electronic…
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Keywords:
structure fragmentation;
patterns electronic;
indium oxide;
fragmentation patterns ... See more keywords
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Published in 2019 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2019.01.050
Abstract: Abstract The cooperative desorption of H2O and CO with 100% selectivity from the co-adsorbed cobalt oxide clusters CoxOyH2OCO+ [(x,y) = (3,3), (5,7), (6,9), and (9,12)] upon photo excitation at 355 nm was identified by mass spectrometry. In contrast,…
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Keywords:
desorption;
catalytic coupling;
cobalt oxide;
photo catalytic ... See more keywords
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Published in 2017 at "International Journal of Mass Spectrometry"
DOI: 10.1016/j.ijms.2017.09.003
Abstract: Abstract It is experimentally challenging to generate and detect nano-sized neutral metal oxide clusters with high-resolution mass spectrometry. Herein, a vacuum ultraviolet (VUV) photoionization time-of-flight (TOF) mass spectrometer based instrument has been home-made to study…
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Keywords:
nano sized;
neutral metal;
mass;
metal oxide ... See more keywords
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Published in 2021 at "Materials Today Physics"
DOI: 10.1016/j.mtphys.2020.100312
Abstract: Abstract Two-dimensional (2D) nitrogenated holey carbon materials are promising non-precious photocatalysts for clean energy production. However, their efficiency is limited by the fast electron-hole recombination and lack of active sites. To overcome these drawbacks, here…
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Keywords:
water splitting;
overall water;
visible light;
c3n4 ... See more keywords
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Published in 2018 at "ACS Catalysis"
DOI: 10.1021/acscatal.8b00012
Abstract: Cluster-based density functional theory calculations show that energy barriers for the dissociative adsorption of propane on two-cation, Co-M oxide clusters supported on Zr-based nodes of NU-1000, a metal–organic framework material, vary from 57 to 9…
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Keywords:
activation bimetallic;
two atom;
bond activation;
bimetallic two ... See more keywords
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Published in 2020 at "Chemical Science"
DOI: 10.1039/d0sc03530k
Abstract: The self-assembly mechanisms of polyoxometalates (POMs) are still a matter of discussion owing to the difficult task of identifying all the chemical species and reactions involved. We present a new computational methodology that identifies the…
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Keywords:
mechanisms speciation;
metal oxide;
nucleation mechanisms;
oxide clusters ... See more keywords
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Published in 2022 at "Dalton transactions"
DOI: 10.1039/d2dt01882a
Abstract: Two nanosized titanium-oxide clusters (TOCs), Ti12(μ2-O)14(μ3-O)4PA16 (1; PA = 2-picolinate) and Ti12(μ2-O)18PA18 (2) were synthesized by using 2-picolinic acid and Ti(OiPr)4 in one-pot reactions. Their structures were determined using single-crystal X-ray diffractometry. Although both have…
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Keywords:
new picolinate;
oxide clusters;
picolinate functionalized;
titanium oxide ... See more keywords
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Published in 2022 at "Nanoscale"
DOI: 10.1039/d2nr00464j
Abstract: Sub-nanometer neutral chromium oxide clusters were produced in the gas phase through laser ablation and their low-lying excited state lifetimes were measured using femtosecond pump-probe spectroscopy. Time-dependent density functional theory calculations relate the trends in…
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Keywords:
nanometer neutral;
oxidation;
chromium oxide;
oxide clusters ... See more keywords
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Published in 2021 at "Chemistry Letters"
DOI: 10.1246/cl.210188
Abstract: Manganese oxide clusters were formed on SnO2 (MnOx/SnO2) and antimony-doped SnO2 (MnOx/ATO) nanocrystals by the impregnation method. MnOx/ATO possesses strong and broad absorption due to the locali...
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Keywords:
consisting manganese;
antimony doped;
manganese oxide;
oxide clusters ... See more keywords
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Published in 2021 at "Universe"
DOI: 10.3390/universe7070243
Abstract: Stellar dust grains are predominantly composed of mineralic, anorganic material forming in the circumstellar envelopes of oxygen-rich AGB stars. However, the initial stage of the dust synthesis, or its nucleation, is not well understood. In…
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Keywords:
ionization energies;
oxide clusters;
energies dust;
metal oxide ... See more keywords