Search academic resources

Abstract Medical devices are a major component of precision medicine and play a key role in medical treatment, particularly with the rapid development of minimally invasive surgery and wearable devices. Their tissue cont...

In order to rationally design a bio-functional surface based on the adsorption of a His-tag antigen, three requirements have to be considered: the bio-recognition element, the driving forces for the adsorption process an...

The relative stability of nine different well defined CeO2 surfaces has been studied by periodic density functional calculations using GGA + U and B3LYP exchange-correlation functional. Both methods consistently predict ...

An effective tailoring of carbon surfaces functionalized with a first-generation amino-ended dendrons was achieved by a simple self-assembly strategy. The morphology, as well as the viscoelastic and electrical properties...

Regarded as a kind of smart surfaces, metasurfaces can arbitrarily tailor the amplitude, phase, and polarization of light. Metasurfaces usually consist of subwavelength nanoantenna or nanoresonator arrays, which are deli...

Surface modifications and reactions on polymer systems have achievedto improve their performance as reactive and functional materials, compatibility ofpolymer blends, among others. Likewise, there is a great interest in ...

Density functional theory was used to investigate the reactivity of partially chlorinated and stepped silicon surfaces with molecules having N, O, and S head groups in relation to the development of selectively functiona...

In this paper, density functional theory (DFT) study was applied to the absorption of BMSF-BENZ ((4-bromo-7-methoxy-1-(2-methoxyethyl)-5-{[3 (methylsulfonyl)phenyl]methyl)}-2-[4-(propane-2)) yl)phenyl]-1H-1,3-benzothiaz...

In this paper we discuss several aspects of methane reactive sticking on Pt(111) in the light of supersonic molecular beam experiments (including state-resolved measurements) and quasi-classical trajectory calculations b...

Fluid transport on confined systems is a subject of theoretical and technological interest. For instance, remarkable high flow rates have been obtained in carbon nanochannels (CNs) which cannot be predicted by standard m...

The ability to engineer and shape the phase profile of optical beams is in the heart of any optical element. Be it a simple lens or a sophisticated holographic element, the functionality of such components is dictated by...

Photoreactive surfaces derived from a new photocleavable surface modification agent and with photosensitivity in the Vis and IR region are described. A ruthenium(II) caged aminosilane, [Ru(bpy) 2(PMe 3)(APTS)](PF 6) 2, w...

The exploration of TiO2 surface reactivity from first-principles calculations has been almost always limited to the gas phase, even though most of the chemically relevant applications of this interface involve the solid-...

Metasurfaces are ultrathin structured surfaces that are capable of manipulating the propagation of light in an arbitrary manner. It has been endowed with various functionalities ranging from imaging to holography. In con...

Abstract Additive manufacturing (AM) technologies have been recognized for their capability to build complex components and hence have offered more freedom to designers for a long time. The ability to directly use a comp...

Density functional theory (DFT) calculations were carried out on hydroxylated and solvated (H&S) Fe substrates. Fe (110) and (111) extended surfaces as well as clusters of 32 and 59 atoms, and a nanoparticle of 80 atoms ...

Water repellency related to organic matter (OM) of coatings along the earthworm burrows (EB) walls can facilitate preferential flow due to limiting the water exchange with the soil matrix. The objectives of this work wer...

This review deals with different aspects of hydrophobicity at nanostructured surfaces. Theoretical and geometric effects as well as those of surface feature geometry on hydrophobicity are explored in this article. This r...

The results of core-level photoemission indicate that Ni-CeO2(111) surfaces with small or medium coverages of nickel are able to activate methane at 300 K, producing adsorbed CHx and COx (x = 2, 3) groups. Calculations b...

Direct laser interference patterning (DLIP) is a laser-based surface structuring method that stands out for its high throughput, flexibility and resolution for laboratory and industrial manufacturing. This top–down tec...

The ability to engineer surfaces at the supramolecular level by controlled integration of specific chemical units through substrate-independent methodologies represents one of the new paradigms of contemporary materials ...

Recently there is an increasing interest in complex optical fields with spatially inhomogeneous state of polarizations and optical singularities. Novel effects and phenomena have been predicted and observed for...

Abstract Textured surfaces with certain micro/nano structures have been proven to possess some advanced functions, such as reducing friction, improving wear and increasing wettability. Accurate prediction of micro/nano s...