Publications related to Pauling's rules

Surface Potential and Interfacial Water Order at the Amorphous TiO2 Nanoparticle/Aqueous Interface

Sylvie Roke, Arianna Marchioro, Marie Bischoff

Colloidal nanoparticles exhibit unique size-dependent properties differing from their bulk counterpart, which can be particularly relevant for catalytic applications. To optimize surface-mediated chemical reactions, the understanding of the microscopic str ...

2020

The Diverse Nature of Ion Speciation at the Nanoscale Hydrophobic/Water Interface

Sylvie Roke, Halil Ibrahim Okur, Evangelia Zdrali

Many biological systems are composed of nanoscale structures having hydrophobic and hydrophilic groups adjacent to one another and in contact with aqueous electrolyte solution. The interaction of ions with such structures is of fundamental importance. Alth ...

AMER CHEMICAL SOC2019

Mode excitation by an antenna in global gyrokinetic simulations

Laurent Villard, Stephan Brunner, Emmanuel Lanti, Alberto Bottino, Ben McMillan, Noé Thomas Elie Ohana

In order to get a better understanding of the linear and non-linear plasma interaction of microinstabilities and associated turbulence with different specific modes, an antenna is implemented in the global gyrokinetic code ORB5. It consists in applying an ...

2018

Migration of Mg and other interstitial metal dopants in GaN

Alfredo Pasquarello, Giacomo Francesco Leonardo Miceli

The minimumenergy paths for the migration of interstitialMgin wurtziteGaNare studiedthroughdensityfunctional calculations. The study also comprises Li, Na, and Be dopants to examine the dependence on size and charge of the dopant species. In all cases cons ...

Wiley-Blackwell2017

Doping and energy band modulation of nanoporous electrodes for enhancing power conversion efficiency of dye-sensitized solar cells

Mohammad Khaja Nazeeruddin, Alwani Imanah Rafieh

This work report, for the first time, the co-doping of mesoporous TiO2 with Cd2+ and La3+ cations for improved performance of dye-sensitized solar cells (DSSCs). Cd2+ ions modify the TiO2 lattice interstitially and lower the band gap enabling better electr ...

Elsevier2017

Efficiency of SPIONs functionalized with polyethylene glycol bis (amine) for heavy metal removal

Heinrich Hofmann, Yongyuth Wanna

Hybrid magnetic nanoparticles based on poly(methylmethacrylate) (PMMA) and super-paramagnetic iron oxide nanopaticles (SPIONs) with selective surface modification has been developed for heavy metal removal by applying external magnetic fields. The nanopart ...

Elsevier2016

Goldschmidt's Rules and Strontium Replacement in Lead Halogen Perovskite Solar Cells: Theory and Preliminary Experiments on CH3NH3SrI3

Ulf Anders Hagfeldt, Tor Jesper Jacobsson

During the past few years, organic lead halogen perovskites have emerged as a class of highly promising solar cell materials, with certified solar cell efficiencies now surpassing 20%. Concerns have, however, been raised about the possible environmental an ...

American Chemical Society2015

Trace concentration - Huge impact: Nitrate in the calcite/Eu(III) system

Kislon Voitchovsky, Moritz Schmidt

The interactions of trivalent lanthanides and actinides with secondary mineral phases such as calcite is of high importance for the safety assessment of deep geological repositories for high level nuclear waste (HLW). Due to similar ionic radii, calcium-be ...

Elsevier2014

Low-dimensional magnetism of spin-1/2 chain systems of alpha- and beta-TeVO4: A comparative study

Helmuth Berger

We present a comparative study of the low-dimensional compounds alpha- and beta-TeVO4. Our data clearly show that the change in the local coordination geometry of V4+ ions between alpha- and beta-TeVO4 leads to drastic differences in their magnetic propert ...

Amer Inst Physics2012

Mechanism of hydrothermal growth of ferroelectric PZT nanowires

Nava Setter, Silviu Cosmin Sandu, Jin Wang, Alexandre Durussel, Mtabazi Geofrey Sahini

The formation mechanism of hydrothermally grown monocrystalline ferroelectric PZT nanowires is investigated. It is shown that the growth proceeds via a two-step process. Particles of the centrosymmetric PX-phase grow initially, having a fibrous morphology ...

2012

Three-Dimensional Multiple-Order Twinning of Self-Catalyzed GaAs Nanowires on Si Substrates

Anna Fontcuberta i Morral, François Morier-Genoud, Martin Heiss, Emanuele Uccelli, Eleonora Russo, Gabriel Mugny

In this paper we introduce a new paradigm for nanowire growth that explains the unwanted appearance of parasitic nonvertical nanowires. With a crystal structure polarization analysis of the initial stages of GaAs nanowire growth on Si substrates, we demons ...

American Chemical Society2011

Surface Assembly of Catechol-Functionalized Poly(l-lysine)-graft-poly(ethylene glycol) Copolymer on Titanium Exploiting Combined Electrostatically Driven Self-Organization and Biomimetic Strong Adhesion

Cyril Portmann, Karl Gademann

Nonfouling coatings, based on surface-tethered, hydrophilic polymer chains, have widespread application in areas such as biosensing, medical devices, and biotechnology. Self-organization of polymers is a particularly attractive approach given its simplicit ...

American Chemical Society2010

Selective Self-Assembly of Hexameric Homo- and Heteropolymetallic Lanthanide Wheels: Synthesis, Structure, and Photophysical Studies

Jean-Claude Bünzli, Marinella Mazzanti

A rational approach to the formation of pure heteropolymetallic lanthanide complexes that uses a two-step assembly strategy and exploits the different size requirements of the two metals included in the final structure is described. The investigation of th ...

2007