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9 papers · 2 filters
Anisotropic Ripple Deformation in Phosphorene
Liangzhi Kou, Yandong Ma, Sean C. Smith +1
Two-dimensional materials tend to become crumpled according to the Mermin-Wagner theorem, and the resulting ripple deformation may significantly influence electronic properties as…
Single- and Mixed-Phase TiO2 Powders Prepared by Excess-Hydrolysis of a Titanium Alkoxide
Dorian A. H. Hanaor, Ilkay Chironi, Inna Karatchevtseva +2
To investigate excess-hydrolysis of titanium alkoxides, TiO2 powders were fabricated from titanium-tetra-isopropoxide using 6:1 and 100:1 H2O:Ti (r) ratios. Powders were dried and…
TDPAC and first-principles study of electronic and structural properties of Pd-vacancy complex in undoped germanium
Adurafimihan A. Abiona, Williams Kemp, Heiko Timmers
Pd is one of the metals suitable for inducing low-temperature crystallization in Ge. However, it is not clear how residual Pd atoms are integrated into the Ge lattice. Therefore, t…
First-Principles Modeling of Quantum Nuclear Effects and Atomic Interactions in Solid 4He at High Pressure
Claudio Cazorla, Jordi Boronat
We present a first-principles computational study of solid 4He at T=0K and pressures up to 160GPa. Our computational strategy consists in using van der Waals density functional the…
Panel flutter characteristics of sandwich plates with CNT reinforced face sheets using an accurate higher-order theory
A Sankar, S Natarajan, M Haboussi +2
In this paper, the flutter characteristics of sandwich panels with carbon nanotube (CNT) reinforced face sheets are investigated using QUAD-8 shear flexible element developed based…
Superionicity and Polymorphism in Calcium Fluoride at High Pressure
Claudio Cazorla, Daniel Errandonea
We present a combined experimental and computational first-principles study of the superionic and structural properties of CaF2 at high P-T conditions. We observe an anomalous supe…