Benchmarking Several van der Waals Dispersion Approaches for the Description of Intermolecular Interactions [PDF]
, 2018 Seven methods, including three van der Waals density functionals (vdW-DFs) and four different variants of the Tkatchenko-Scheffler (TS) methods, are tested on the A24, L7, and Taylor et al.\u27s "blind" test sets.
Anant, Dixit +6 more
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Thermogeometric study of van der Waals like phase transition in black holes: An alternative approach
Physics Letters B, 2020 It is well-known that the non-extremal anti-de-Sitter (AdS) black holes show various van der Waals type criticalities, such as the P−V, T−S, Y−X, Q2−Ψ etc. In these cases, the phase space diagram of the relevant quantities are similar in behaviour to the
Krishnakanta Bhattacharya +1 more
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Van der Waals effects using the quantum harmonic oscillator model with external electric fields
, 2022 reservedVerrà utilizzato il modello degli oscillatori armonici quantistici, che consente di descrivere l'interazione di Van der Waals oltre l'approssimazione di interazioni a 2 corpi, includendo effetti a molti corpi fino a infinito ordine perturbativo.
MORETTO, DANIELE
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van der Waals Potential: An Important Complement to Molecular Electrostatic Potential in Studying Intermolecular Interactions [PDF]
, 2020 Electrostatic and van der Waals (vdW) interactions are two major components of intermolecular weak interactions. Electrostatic potential has been a very popular function in revealing electrostatic interaction between the system under study and other ...
Tian, Lu, Qinxue, Chen
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Electrochemistry at the edge of a van der Waals heterostructure [PDF]
, 2023 Artificial van der Waals heterostructures, obtained by stacking layered two-dimensional materials, represent a novel material platform for investigating physicochemical phenomena and applications. Here, the electrochemistry at the one-dimensional edge of
Kannan, Balasubramanian +8 more
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European Physical Journal C: Particles and Fields, 2020 In this work the chemistry of asymptotically AdS black hole, for the charged and uncharged solutions of Pure Lovelock gravity, is discussed. The charged case behaves as a Van der Waals fluid and whose first order phase transitions, between small stable ...
Milko Estrada, Rodrigo Aros
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Tuning band alignment and optical properties of 2D van der Waals heterostructure via ferroelectric polarization switching [PDF]
, 2020 Favourable band alignment and excellent visible light response are vital for photochemical water splitting. In this work, we have theoretically investigated how ferroelectric polarization and its reversibility in direction can be utilized to modulate the
Tang, Cheng +3 more
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Vertical Charge Transport in Stacked 2D-3D van der Waals Heterogeneous Interface [PDF]
Achieving ohmic contacts remains a significant challenge in the development and integration of devices based on two-dimensional materials, primarily due to the substantial mismatch between their electronic properties and those of traditional metal-based ...
Jabegu, Tara
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Extending classical nucleation theory to consider curvature and real-gas effects
Ultrasonics SonochemistryThis paper introduces a Classical Nucleation Theory framework that explicitly incorporates curvature-dependent surface tension (Tolman correction) and real-gas behavior (Van der Waals correction) to predict cavitation inception at nanoscale gaseous ...
Mazyar Dawoodian, Ould el Moctar
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Quantification of van der Waals forces in bimodal and trimodal AFM [PDF]
, 2023 This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in Santos, S. [et al.]. Quantification of van der Waals forces in bimodal and trimodal AFM. "The Journal
Lamiaa Elsherbiny +21 more
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