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43 papers · 2 filters
The true corrugation of a h-BN nanomesh layer
Luis Henrique de Lima, Thomas Greber, Matthias Muntwiler
Hexagonal boron nitride (h-BN) nanomesh, a two-dimensional insulating monolayer, grown on the (111) surface of rhodium exhibits an intriguing hexagonal corrugation pattern with a l…
Electronic Structure Studies of FeSi: A Chiral Topological System
Susmita Changdar, S. Aswartham, Anumita Bose +7
Most recent observation of topological Fermi arcs on the surface of manyfold degenerate B20 systems, CoSi and RhSi, have attracted enormous research interests. Although an another…
Transport Mechanism of Acetamide in Deep Eutectic Solvents
H. Srinivasan, V. K. Sharma, V. García Sakai +3
Over the last couple of decades, deep eutectic solvents (DESs) have emerged as novel alternatives to ionic liquids that are extensively used in synthesis of innovative materials, m…
Global Uncertainty-Sensitivity Analysis on Mechanistic Kinetic Models: From Model Assessment to Theory-Driven Design of Nanoparticles
M. Reza. Andalibi, Paul Bowen, Agnese Carino +1
The optimal design of nanoparticle synthesis protocols is often achieved via one-at-a-time experimental designs. Aside from covering a limited space for the possible input conditio…
Magnetic phase diagram of the triangular antiferromagnetic mixed system
Natalija van Well, Oksana Zaharko, Bernard Delley +4
The novel magnetic phase diagram of the mixed system is established by means of single crystal neutron diffraction in the lowest temperature region and zero ma…
The solid-state Li-ion conductor LiTaO: A combined computational and experimental study
Leonid Kahle, Xi Cheng, Tobias Binninger +8
We study the oxo-hexametallate LiTaO with first-principles and classical molecular dynamics simulations, obtaining a low activation barrier for diffusion of 0.29 eV a…