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1.
Composition-dependent photoluminescence in nanocrystalline La2Hf2-xZrxO7:Eu phosphor: role of chemical twin Zr/Hf environments around a luminescent center.
Phys Chem Chem Phys
; 26(3): 1749-1761, 2024 Jan 17.
Artículo
en Inglés
| MEDLINE | ID: mdl-38165712
2.
Evolution of the atomic and electronic structures of CuO clusters: a comprehensive study using the DFT approach.
Phys Chem Chem Phys
; 26(15): 11506-11515, 2024 Apr 17.
Artículo
en Inglés
| MEDLINE | ID: mdl-38586893
3.
Why Do Relative Intensities of Charge Transfer and Intra-4f Transitions of Eu3+ Ion Invert in Yttrium Germanate Hosts? Unravelling the Underlying Intricacies from Experimental and Theoretical Investigations.
Inorg Chem
; 59(17): 12659-12671, 2020 Sep 08.
Artículo
en Inglés
| MEDLINE | ID: mdl-32845617
4.
Bimetallic Ag-Pt Sub-nanometer Supported Clusters as Highly Efficient and Robust Oxidation Catalysts.
Angew Chem Int Ed Engl
; 57(5): 1209-1213, 2018 01 26.
Artículo
en Inglés
| MEDLINE | ID: mdl-29239093
5.
ORR viability of alumina-supported platinum nanocluster: exploring oxidation behaviour by DFT.
Phys Chem Chem Phys
; 19(29): 19308-19315, 2017 Jul 26.
Artículo
en Inglés
| MEDLINE | ID: mdl-28703240
6.
Platinum-Mediated Activation of Coordinated Organonitriles by Telluroethers in Tetrahydrofuran: Isolation, Structural Characterization, and Density Functional Theory Analysis of Intermediate Complexes.
Inorg Chem
; 54(24): 11741-50, 2015 Dec 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-26669361
7.
Modulation of band gap by an applied electric field in silicene-based hetero-bilayers.
Phys Chem Chem Phys
; 17(17): 11324-8, 2015 May 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-25848645
8.
Evidence of a graphene-like Sn-sheet on a Au(111) substrate: electronic structure and transport properties from first principles calculations.
Phys Chem Chem Phys
; 17(10): 6705-12, 2015 Mar 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-25683839
9.
The structural and electronic properties of Au(n) clusters on the α-Al2O3(0001) surface: a first principles study.
Phys Chem Chem Phys
; 16(48): 26561-9, 2014 Dec 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-25103201
10.
Molecular precursor-mediated facile synthesis of phase pure metal-rich digenite (Cu1.8S) nanocrystals: an efficient anode for lithium-ion batteries.
Dalton Trans
; 52(5): 1461-1475, 2023 Jan 31.
Artículo
en Inglés
| MEDLINE | ID: mdl-36645001
11.
Controlled synthesis of photoresponsive bismuthinite (Bi2S3) nanostructures mediated through a new 1D bismuth-pyrimidylthiolate coordination polymer as a molecular precursor.
Dalton Trans
; 52(44): 16224-16234, 2023 Nov 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-37853758
12.
Facile one pot synthesis of highly photoresponsive coinage metal selenides (Cu1.8Se and Ag2Se) achieved through novel Cu and Ag pyridylselenolates as molecular precursors.
Dalton Trans
; 51(33): 12670-12685, 2022 Aug 23.
Artículo
en Inglés
| MEDLINE | ID: mdl-35938959
13.
Multifunctional Lanthanide-Doped Binary Fluorides and Graphene Oxide Nanocomposites Via a Task-Specific Ionic Liquid.
ACS Omega
; 7(20): 16906-16916, 2022 May 24.
Artículo
en Inglés
| MEDLINE | ID: mdl-35647428
14.
Molecular Level Dissection of Critical Spike Mutations in SARS-CoV-2 Variants of Concern (VOCs): A Simplified Review.
ChemistrySelect
; 6(31): 7981-7998, 2021 Aug 20.
Artículo
en Inglés
| MEDLINE | ID: mdl-34541298
15.
Growth pattern of Ag(n) (n = 1-8) clusters on the α-Al2O3(0001) surface: a first principles study.
Langmuir
; 26(24): 18776-87, 2010 Dec 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-21077616
16.
Novel properties of boron nitride nanotubes encapsulated with Fe, Co, and Ni nanoclusters.
J Chem Phys
; 132(16): 164704, 2010 Apr 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-20441302
17.
Growth pattern and electronic properties of acetonitrile clusters: a density functional study.
J Chem Phys
; 128(21): 214307, 2008 Jun 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-18537422
18.
Single atom alloy catalyst for SO3 decomposition: enhancement of platinum catalyst's performance by Ag atom embedding.
Nanoscale
; 10(44): 20599-20610, 2018 Nov 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-30277248
19.
Speciation and site occupancy of uranium in strontium orthosilicate by photoluminescence and X-ray absorption spectroscopy: A combined experimental and theoretical approach.
Spectrochim Acta A Mol Biomol Spectrosc
; 151: 453-8, 2015 Dec 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-26151434
20.
M atom (M = Cu, Ag and Au) interaction with Ag and Au substrates: a first-principles study using cluster and slab models.
J Phys Condens Matter
; 22(43): 435001, 2010 Nov 03.
Artículo
en Inglés
| MEDLINE | ID: mdl-21403323