We observed an epitaxial, air-stable, partially registered (2 × 1) oxide bilayer on Pt (001) nanofacets [V. Komanicky, A. Menzel, K.-C. Chang, and H. You, J. Phys. Chem. 109, 23543 (2005)]. The bilayer is made of two half Pt layers; the top layer has four oxygen bonds and the second layer two. The positions and oxidation states of the Pt atoms are determined by analyzing crystal truncation rods and resonance scattering data. The positions of oxygen atoms are determined by density functional theory (DFT) calculations. Partial registry on the nanofacets and the absence of such registry on the extended Pt (001) surface prepared similarly are explained in DFT calculations by strain relief that can be accommodated only by nanoscale facets.
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J Chem Theory Comput
January 2025
IBiTech - BioMMedA Group, Ghent University, Corneel Heymanslaan 10, Entrance 98, 9000 Gent, Belgium.
Molecular oxygen (O) is essential for life, and continuous effort has been made to understand its pathways in cellular respiration with all-atom (AA) molecular dynamics (MD) simulations of, e.g., membrane permeation or binding to proteins.
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December 2024
Department of Reproductive Medicine and Gynecological Endocrinology, University Medical Centre Maribor, 2000 Maribor, Slovenia.
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January 2025
North China Electric Power University, Changping district, NO.2, Beinong Road, CHINA.
Semitransparent perovskite solar cells (ST-PSCs) for building-integrated photovoltaics (BIPV) face the challenge of achieving high efficiency due to significant light loss. The SnO2 electron transport layer (ETL), utilized in n-i-p PSCs and prepared via the sol-gel method, is susceptible to aggregation on substrate, resulting in light scattering that diminishes absorption of the perovskite layer. In this study, we propose a strategy that combines atomic layer deposition (ALD) and sol-gel solution to deposit a bilayer SnO2 structure to address these issues.
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January 2025
College of Polymer Science and Engineering, State Key Laboratory of Polymer Materials Engineering, Sichuan University, Chengdu 610065, P. R. China.
Although MEG is being developed as a green renewable energy technology, there remains significant room for improvement in self-sustained power supply, generation duration, and energy density. In this study, we present a self-sustained, high-performance MEG device with a bilayer structure. The lower hydrogel layer incorporates graphene oxide (GO) and carbon nanotubes (CNTs) as the active materials, whereas the upper aerogel layer is comprised of pyrrole-modified graphene oxide (PGO).
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December 2024
Coimbra Chemistry Center, Institute of Molecular Sciences (CQC-IMS), University of Coimbra, 3004-535 Coimbra, Portugal.
The membrane dipole potential that arises from the interfacial water and constitutive dipolar groups of lipid molecules modulates the interaction of amphiphiles and proteins with membranes. Consequently, its determination for lipid mixtures resembling the existing diversity in biological membranes is very relevant. In this work, the dipole potentials of monolayers, formed at the air-water interface, from pure or mixed lipids (1-palmitoyl-2-oleoyl--glycero-3-phosphocholine (POPC), 1-palmitoyl-2-oleoyl--glycero-3-phosphoethanolamine (POPE), 1-palmitoyl-2-oleoyl--glycero-3-phosphatidyserine (POPS), sphingomyelin (SpM) and cholesterol) were measured and correlated with the mean area per lipid.
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