Surface-dependent photocatalytic and biological activities of Ag2CrO4: Integration of experiment and simulation Abstract: In this work, we present a joint experimental and theoretical study towards unveiling the photocatalytic (photodegradation of Rhodamine B), the antifungal (towards […]
Combined theoretical and nanoscale experimental study of Pb(Ca,Ba) TiO3, Pb(Sr,Ba)TiO3, and Pb(Sr,Ca)TiO3 complex perovskite structures: An investigation of the ferroelectric and electronic properties Abstract: Combined experimental and first-principles studies have been conducted to obtain a fundamental […]
Mechanism of Antibacterial Activity via Morphology Change of alpha-AgVO3: Theoretical and Experimental Insights Abstract: The electronic configuration, morphology, optical features, and antibacterial activity of metastable alpha-AgVO3 crystals have been discussed by a conciliation and association of […]
Formation of Ag nanoparticles under electron beam irradiation: Atomistic origins from first-principles calculations Abstract: The formation of Ag nanoparticles is currently a topic subject to a great deal of research because they are excellent materials with […]
Combined theoretical and nanoscale experimental study of Pb(Ca,Ba)TiO3, Pb(Sr,Ba)TiO3, and Pb(Sr,Ca)TiO3complex perovskite structures: An investigation of the ferroelectric and electronic properties Abstract: Combined experimental and first-principles studies have been conducted to obtain a fundamental understanding of […]
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