Search Results - "Zhu, Weiduo"
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Two-dimensional monolayer salt nanostructures can spontaneously aggregate rather than dissolve in dilute aqueous solutions
Published in Nature communications (23-09-2021)“…It is well known that NaCl salt crystals can easily dissolve in dilute aqueous solutions at room temperature. Herein, we reported the first computational…”
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Enhanced electron–phonon coupling by delocalizing phonon states for desirable interlayer transfer of excited charges in MoSSe/WS2 heterobilayer
Published in Applied physics letters (18-12-2023)“…Regulating the interlayer transfer of excited charges is challenging but crucial for high-efficiency photoelectric conversion devices based on semiconductor…”
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mech2d: An Efficient Tool for High-Throughput Calculation of Mechanical Properties for Two-Dimensional Materials
Published in Molecules (Basel, Switzerland) (25-05-2023)“…Two-dimensional (2D) materials have been a research hot topic in the passed decades due to their unique and fascinating properties. Among them, mechanical…”
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Room temperature electrofreezing of water yields a missing dense ice phase in the phase diagram
Published in Nature communications (26-04-2019)“…Water can freeze into diverse ice polymorphs depending on the external conditions such as temperature ( T ) and pressure ( P ). Herein, molecular dynamics…”
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Water Confined in Nanocapillaries: Two-Dimensional Bilayer Squarelike Ice and Associated Solid–Liquid–Solid Transition
Published in Journal of physical chemistry. C (29-03-2018)“…Despite recent experimental evidence of the two-dimensional (2D) square ice in graphene nanocapillaries, based on transmission electron microscopy (TEM)…”
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Ratiometric detection of Raman hydration shell spectra
Published in Journal of Raman spectroscopy (01-10-2016)“…The micro‐structure of hydration shell of solute in water is significant for understanding the properties of aqueous solutions. However the spectra of…”
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Identification of Alcohol Conformers by Raman Spectra in the C–H Stretching Region
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (02-04-2015)“…The spontaneous polarized Raman spectra of normal and deuterated alcohols (C2–C5) have been recorded in the C–H stretching region. In the isotropic Raman…”
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Effects of sonication on the physicochemical and functional properties of walnut protein isolate
Published in Food research international (01-04-2018)“…The objective of this study was to investigate the impact of high-intensity ultrasound treatment (sonication) on the molecular, physicochemical, and functional…”
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Enamel-like Layer of Nanohydroxyapatite Stabilizes Zn Metal Anodes by Ion Exchange Adsorption and Electrolyte pH Regulation
Published in ACS nano (28-06-2022)“…The instability of Zn anode caused by severe dendrite growth and side reactions has restricted the practical applications of aqueous zinc-ion batteries…”
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First-Principles Molecular Dynamics Simulations of the Spontaneous Freezing Transition of 2D Water in a Nanoslit
Published in Journal of the American Chemical Society (02-06-2021)“…As with bulk ices, two-dimensional (2D) ices exhibit diverse crystalline structures, and the majority of these 2D structures have been predicted based on…”
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Continuous and First-Order Liquid–Solid Phase Transitions in Two-Dimensional Water
Published in The journal of physical chemistry. B (03-11-2022)“…Understanding the phase behaviors of nanoconfined water is of importance in fundamental physical science and nanofluidic applications. Herein, we perform…”
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Enhanced Direct Exchange Interaction and Hybridization by Single-Atom Linkers for High Curie Temperature and Superior Visible-Light Harvesting in Cr3(CN3)2
Published in Nano letters (10-01-2024)“…Designing two-dimensional (2D) ferromagnetic (FM) semiconductors with elevated Curie temperature, high carrier mobility, and strong light harvesting is…”
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Rich proton dynamics and phase behaviours of nanoconfined ices
Published in Nature physics (01-03-2024)“…Water confined in nanopores is ubiquitous in geological, planetary and biological environments and in nanofluidic settings. Understanding the phase behaviour…”
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Direct observation of 2-dimensional ices on different surfaces near room temperature without confinement
Published in Proceedings of the National Academy of Sciences - PNAS (20-08-2019)“…Water–solid interfaces play important roles in a wide range of fields, including atmospheric science, geochemistry, electrochemistry, and food science. Herein,…”
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An Overcrowded Water-Ion Solvation Structure for a Robust Anode Interphase in Aqueous Lithium-Ion Batteries
Published in ACS applied materials & interfaces (03-11-2021)“…The water-in-salt electrolyte (WISE) features intimate interactions between a cation and anion, which induces the formation of an anion-derived solid…”
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Computational Prediction of Novel Ice Phases: A Perspective
Published in The journal of physical chemistry letters (03-09-2020)“…Although computational prediction of new ice phases is a niche field in water science, the scientific subject itself is representative of two important areas…”
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Anomalous Phase Behaviors of Monolayer NaCl Aqueous Solutions Induced by Effective Coulombic Interactions within Angstrom-Scale Slits
Published in The journal of physical chemistry letters (31-03-2022)“…Interests in subnanofluidic devices have called for molecular dynamics (MD) simulation studies of the thermodynamic behavior of monolayer salt solution within…”
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Formation of porous ice frameworks at room temperature
Published in Proceedings of the National Academy of Sciences - PNAS (03-08-2021)“…Bulk crystalline ices with ultralow densities have been demonstrated to be thermodynamically metastable at negative pressures. However, the direct formation of…”
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Assisted Self-Assembly of Nanoporous Ices via Carbon Nanomaterial Templates
Published in The journal of physical chemistry letters (22-02-2024)“…Self-assembly is a widely used synthetic method in nanoscience to assemble well-organized structures. Self-assembly processes usually occur in a water solvent…”
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