Visualitza Departament: Química Física i Analítica per paraule clau "morphology"
Ara mostrant els elements 1-17 d 17
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Back to the basics: probing the role of surfaces in the experimentally observed morphological evolution of ZnO
MDPI (2023-03-08)Although the physics and chemistry of materials are driven by exposed surfaces in the morphology, they are fleeting, making them inherently challenging to study experimentally. The rational design of their morphology and ... -
Bridging experiment and theory: Morphology, optical, electronic, and magnetic properties of MnWO4
Elsevier (2022-10-30)Manganese tungstate (MnWO4) compounds have gathered tremendous interest in the research community due to their wide range of applications. Herein, we show a comprehensive experimental, theoretical and computational study ... -
Comprehensive experimental and theoretical studies on the synthesis and characterization of electrodeposited nanostructured Cu2O thin films
Elsevier (2023-11-01)In this study, we present a comprehensive analysis of the morphology, microstructure, and optical properties of electrodeposited Cu2O thin films on SnO2:F (FTO) substrates. The films were synthesized using the galvanostatic ... -
Connecting morphology and photoluminescence emissions in β-Ag2MoO4 microcrystals
Elsevier (2021-10-23)This work elucidates the morphology-photoluminescence (PL) emission relationships, based on experimental and calculated results, on β-Ag2MoO4 samples synthesized by microwave-assisted hydrothermal method. It was shown that ... -
Connecting the surface structure, morphology and photocatalytic activity of Ag2O: An in depth and unified theoretical investigation
Elsevier (2020-04-15)The surface morphology of the materials is known to have significant influence on the overall photocatalytic performance. Therefore, identifying the corresponding electronic structures associated with the surface redox ... -
Disclosing the Biocide Activity of α-Ag2−2xCuxWO4 (0 ≤ x ≤ 0.16) Solid Solutions
MDPI (2022-09-11)n this work, α-Ag2−2xCuxWO4 (0 ≤ x ≤ 0.16) solid solutions with enhanced antibacterial (against methicillin-resistant Staphylococcus aureus) and antifungal (against Candida albicans) activities are reported. A plethora of ... -
Effects of surface stability on the morphological transformation of metals and metal oxides as investigated by first-principles calculations
IOP Publishing (2015)Morphology is a key property of materials. Owing to their precise structure and morphology, crystals and nanocrystals provide excellent model systems for joint experimental and theoretical investigations into surface-related ... -
Experimental and theoretical study to explain the morphology of CaMoO4 crystals
Elsevier (2018-03)CaMoO4 crystals were prepared by a controlled co-precipitation method and processed in a domestic microwave-assisted hydrothermal system with two different surfactants (ethyl 4-dimethylaminobenzoate and 1,2,4,5-benzenete ... -
Identifying and rationalizing the morphological, structural, and optical properties of β-Ag2MoO4 microcrystals, and the formation process of Ag nanoparticles on their surfaces: combining experimental data and first-principles calculations
IOP Publishing (2015-11)We present a combined theoretical and experimental study on the morphological, structural, and optical properties of β-Ag2MoO4 microcrystals. β-Ag2MoO4 samples were prepared by a co-precipitation method. The nucleation and ... -
Magnetism and multiferroic properties at MnTiO3 surfaces: A DFT study
Elsevier (2018-09-15)The present study illustrates how density functional theory calculations can rationalize the surface structure and magnetism for the low-index (1 1 0), (1 0 1), (1 0 0), (0 0 1), (1 1 1), and (0 1 2) surfaces of MnTiO3. A ... -
Modulating the properties of multifunctional semiconductors by means of morphology: Theory meets experiments
Elsevier (2021-02-15)Morphology control of multifunctional semiconductor materials is a significant topic since it directly impacts the physical and chemical properties in catalysis, photonics, energy conversion, and other applications. ... -
Surface-dependent photocatalytic and biological activities of Ag2CrO4: Integration of experiment and simulation
Elsevier (2021-04-15)In this work, we present a joint experimental and theoretical study towards unveiling the photocatalytic (photodegradation of Rhodamine B), the antifungal (towards Candida glabrata) and cytotoxicity (against the L929 cell ... -
Surfactant-Mediated Morphology and Photocatalytic Activity of α‑Ag2WO4 Material
American Chemical Society (2018-03)In the present work, the morphology (hexagonal rod-like vs cuboid-like) of an α-Ag2WO4 solid-state material is manipulated by a simple controlled-precipitation method, with and without the presence of the anionic surfactant ... -
Tailoring the Bactericidal Activity of Ag Nanoparticles/α-Ag2WO4 Composite Induced by Electron Beam and Femtosecond Laser Irradiation: Integration of Experiment and Computational Modeling
American Chemical Society (2019)In nanotechnology research, significant effort is devoted to fabricating patterns of metallic nanoparticles on the surfaces of different semiconductors to find innovative materials with favorable characteristics, such as ... -
The hinge morphology of SnO2 as multifunctional semiconductor: What we can learn from simulations, theory, and experiments
Elsevier (2023-06-15)Our interaction with materials occurs through their surfaces whose properties are strongly dependent on morphology, structure, and atomic arrangement. Unfortunately, obtaining a detailed correlation between the surface ... -
Theoretical approach for determining the relation between the morphology and surface magnetism of Co3O4
Elsevier (2017-11)Precisely controlling the different aspects of the morphology and magnetic properties of metal oxides are fundamental to materials design. A theoretical approach, based on the Wulff construction and magnetization density ... -
αsingle bondAg2WO4 under microwave, electron beam and femtosecond laser irradiations: Unveiling the relationship between morphology and photoluminescence emissions
Elsevier (2022-01-29)In this study, the α-Ag2WO4 samples were successfully synthesized combined two methods, co-precipitation and microwave-assisted hydrothermal. Later, two different irradiation processes: electron beam and femtosecond laser ...