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TiO2 is a technologically important material. In particular, its anatase polymorph plays a major role in photocatalysis, which can also accommodate charged and neutral vacancies. There is, however, scant theoretical work on the vacancy…
We perform in-situ two-cycle thermal cycling and annealing studies for a transferred CVD-grown monolayer MoS2 on a SiO2/Si substrate, using spatially resolved micro-Raman and PL spectroscopy. After the thermal cycling and being annealed at…
Tungsten is a promising candidate material for plasma-facing armour components in future fusion reactors. A key concern is irradiation-induced degradation of its normally excellent thermal transport properties. In this comprehensive study,…
Ice nucleation from vapor presents a variety of challenges across a wide range of industries and applications including refrigeration, transportation, and energy generation. However, a rational comprehensive approach to fabricating…
We report here enhancement of ferromagnetism in pure ZnO upon thermal annealing with the ferromagnetic transition temperature Tc above room temperature. We observe a finite coercive field upto 300K and a finite thermoremanent magnetization…
The oxidation of the Ni(111) surface is studied experimentally with low energy electron microscopy and theoretically by calculating the electron reflectivity for realistic models of the NiO/Ni(111) surface with an ab-initio scattering…
Nano-acoustic strain generation in thin metallic films via ultrafast laser excitation is widely used in material science, imaging and medical applications. Recently, it was shown that transition metals, such as Titanium, exhibit enhanced…
We investigate through non-equilibrium molecular dynamic simulations the flow of core-softened fluids inside nanotubes. Our results reveal a anomalous increase of the overall mass flux for nanotubes with sufficiently smaller radii. This is…
Present study investigates the photoabsorption properties of single crystal rutile TiO2 (110) surfaces after they have been implanted with low fluence of Cobalt ions. The surfaces, after implantation, demonstrate fabrication of…
Further development of nuclear power plant technology relies heavily on materials durability under operating conditions. Estimating the materials performance in the operando tests is crucial. In this paper, the mechanical behavior of thin…
Cuprous oxide (Cu2O) films from 25 nm to 1500 nm were electrodeposited on n-Si(100) and Ni/n-Si(100) substrates from aqueous solution at room temperature. X-ray diffraction and transmission electron microscopy imaging show that the Cu2O…
The effects of substrate treatment, temperature and composition on the surface morphology of Ni-Cr thin films grown on MgO(001) are studied by scanning tunneling microscopy (STM) and atomic force microscopy (AFM). A combination of…
The convective heat transfer and flow behavior of graphene-water nanofluids are studied experimentally by focusing on transitional flow. Graphene-water nanofluids with different particle mass fractions (0.025, 0.1 and 0.2%) are produced…
Graphene quality indicators obtained by Raman spectroscopy have been correlated to the structural changes of the graphene/Germanium interface as a function of in-vacuum thermal annealing. Specifically, it is found that graphene becomes…
Heterogeneous catalysts consisting of supported metallic nanoparticles typically derive exceptional catalytic activity from their large proportion of under-coordinated surface sites which promote adsorption of reactant molecules.…
The influence of surface oxygen vacancies on the oxygen evolution reaction on bismuth vanadate is studied using hybrid density functional theory. Our findings reveal the thermodynamic instability of the neutral unionized defect (${\rm…
The photo-induced desorption and oxidation of CO on Ru(0001) is simulated using ab initio molecular dynamics with electronic friction that accounts for the non-equilibrated excited electrons and phonons. Different (O,CO) coverages are…
The surfaces of perovskite oxides affect their functional properties, and while a bulk-truncated (1$\times$1) termination is generally assumed, its existence and stability is controversial. Here, such a surface is created by cleaving the…
To improve mobility of fabricated silicon metal-oxide-semiconductor (MOS) quantum devices, forming gas annealing is a common method used to mitigate the effects of disorder at the Si/SiO2 interface. However, the importance of activation…
A quantum Markovian activated atom-surface diffusion model with interacting adsorbates is proposed for the intermediate scattering function, which is shown to be complex-valued and factorizable into a classical-like and a quantum-mechanical…