Publications related to Group 7 element

Microstructure - Electrochemical Surface Reactivity Relationship of Electrochemically Grown Manganese Oxides Films

This Thesis provides a comprehensive and correlative investigation of the microstructure, chemical state, and electrochemical reactivity of manganese oxide (MnOx) films, aiming to gain a deeper understanding of the deposition and dissolution mechanism of M ...

EPFL2024

Orbital-Resolved DFT plus U for Molecules and Solids

Nicola Marzari, Iurii Timrov, Eric Macke

We present an orbital-resolved extension of the Hubbard U correction to density-functional theory (DFT). Compared to the conventional shell-averaged approach, the prediction of energetic, electronic and structural properties is strongly improved, particula ...

Amer Chemical Soc2024

Tailoring the redox-active transition metal content to enhance cycling stability in cation-disordered rock-salt oxides

Corsin Battaglia, Chunyang Zhang, Yong Yang, Yining Li

Lithium-excess cation-disordered rock-salt oxides (DRXs) are investigated intensively as cathode materials for future lithium-ion batteries combining cationic and anionic redox reactions. However, the lattice oxygen redox can cause severe oxygen release re ...

ELSEVIER2021

Photo-induced environmental remediation, biomedical imaging, and microbial inactivation by Mn-doped semiconductors: critical issues

Juan Kiwi, Sami Rtimi

The Mn-doping/decoration of S-containing semiconductor quantum dots (QDs) determine their photochemical properties and are important in the field of artificial photosynthesis. The Mn-mediated charge-transfer kinetics and energetics in composites of the typ ...

ELSEVIER SCI LTD2021

Metastable skyrmion lattices governed by magnetic disorder and anisotropy in beta-Mn-type chiral magnets

Henrik Moodysson Rønnow, Jonathan White

Magnetic skyrmions are vortexlike topological spin textures often observed in structurally chiral magnets with Dzyaloshinskii-Moriya interaction. Among them, Co-Zn-Mn alloys with a beta-Mn-type chiral structure host skyrmions above room temperature. In thi ...

AMER PHYSICAL SOC2020

Structural Disorder and Magnetic Order in Atomically Thin Crystals

Michele Pizzochero

This Thesis is mainly devoted to the exploration of the structural disorder and magnetic order in two-dimensional crystals by means of first-principles methodologies. Firstly, we present a comparative study of defect formation in the semiconducting 2H and ...

EPFL2020

A multi-technique approach to study the microstructural properties of tin-based transparent conductive oxides

Federica Landucci

Transparent conductive oxides (TCOs) are semiconductor-like materials that exhibit high electrical conductivity and high optical transparency combined. They are adopted in various applications ranging from gas sensors, to electrochromic windows, to photovo ...

EPFL2019

Correlation between site occupancies and spin-glass transition in skyrmion host Co10-x/2Zn10-x/2Mnx

Henrik Moodysson Rønnow, Jonathan White

Ternary alloys Co-Zn-Mn with beta-Mn-type structure exhibit helimagnetic order and skyrmion lattice states in a low-Mn-concentration region. Recent studies on Co10-x/2Zn10-x/2Mnx (CZM) revealed that the magnetic modulation period and the paramagnetic-to-he ...

AMER PHYSICAL SOC2019

Structure and superconductivity in the binary Re1-xMox alloys

Joël Mesot

The binary Re1-xMox alloys, known to cover the full range of solid solutions, were successfully synthesized and their crystal structures and physical properties investigated via powder x-ray diffraction, electrical resistivity, magnetic susceptibility, and ...

AMER PHYSICAL SOC2019

Disordered skyrmion phase stabilized by magnetic frustration in a chiral magnet

Henrik Moodysson Rønnow, Jonathan White

Magnetic skyrmions are vortex-like topological spin textures often observed to form a triangular-lattice skyrmion crystal in structurally chiral magnets with the Dzyaloshinskii-Moriya interaction. Recently, beta-Mn structure-type Co-Zn-Mn alloys were ident ...

AMER ASSOC ADVANCEMENT SCIENCE2018

Interface microstructure formation of dissimilar Fe/Fe-Mn-C steel RSW joints

Léa Deillon

An experiment was developed to simulate the interface between liquid high manganese carbon steel and solid ultra-low alloyed steel in a thermal gradient, corresponding to the nugget/sheet interface of resistance spot welds. Despite the large difference in ...

Elsevier Science Sa2018

Chiral Cyclopentadienyl Ruthenium (II) Complexes : Synthesis and Applications in Catalysis

David Kossler

Cyclopentadienyl ruthenium(II) complexes are an important class of homogenous catalysts. They engage in a multitude of different transformations, for example cycloisomerizations. Due to a lack of suitable chiral cyclopentadienyl ligands, no efficient enant ...

EPFL2017

Phase Segregation in Cs-, Rb- and K-Doped Mixed-Cation (MA)(x)(FA)(1-x)Pbl(3) Hybrid Perovskites from Solid-State NMR

Michael Graetzel, Shaik Mohammed Zakeeruddin, David Lyndon Emsley, Daniel Prochowicz, Dominik Józef Kubicki, Albert Hofstetter

Hybrid (organic-inorganic) multication lead halide perovskites hold promise for a new generation of easily processable solar cells. Best performing compositions to date are multiple-cation solid alloys of formamidinium (FA), methylammonium (MA), cesium, an ...

American Chemical Society2017

Targeted design of alpha-MnO2 based catalysts for oxygen reduction

Michael Markus Busch

The paper focuses on theoretical and experimental aspects of an oxide surface optimization for oxygen reduction reaction (ORR). Various doped alpha-MnO2 based electrocatalysts were prepared by microwave-assisted hydrothermal synthesis and electrochemically ...

Pergamon-Elsevier Science Ltd2016

Scanning thermal probe microscope method for the determination of thermal diffusivity of nanocomposite thin films

Jürgen Brugger, Khushboo Agarwal

A commercial scanning thermal microscope has been upgraded to facilitate its use in estimating the radial thermal diffusivity of thin films close to room temperature. The modified setup includes a microcontroller driven microhotplate coupled with a Bluetoo ...

2016

Nickel-catalyzed Hydrosilylation of Alkenes and Transition-Metal-Free Intermolecular α-C-H Amination of Ethers

Ivan Buslov

Transition-metal-catalyzed hydrosilylation of olefins is one of the most important methods for the preparation of organosilicon compounds, which have broad applications in both synthetic and material chemistry. For decades, precious metals, principally pla ...

EPFL2016

Syntheses, structures and properties of cobalt and manganese complexes based on pyridine-2,3,5,6-tetracarboxylic acid

Chi Wai Cheung, Weijin Wang, Hong-Ling Gao

Two new complexes based on pyridine-2,3,5,6-tetracarboxylic acid(H(4)pdtc) as ligand, {[Co-2(pdtc)(H2O)(4)]center dot H2O}(n) (1) and {Mn-2(pdtc)(H2O)(4)}(n) (2), have been obtained by hydrothermal syntheses and characterized by IR, elemental analysis, X-r ...

Elsevier Science Bv2015

Phase-based manganese enhanced MRI, a new methodology to enhance brain cytoarchitectural contrast and study manganese uptake

Rolf Gruetter, José Pedro Rebelo Ferreira Marques, Rajika Maddage

Purpose As the magnetic susceptibility induced frequency shift increases linearly with magnetic field strength, the present work evaluates manganese as a phase imaging contrast agent and investigates the dose dependence of brain enhancement in comparison t ...

Wiley-Blackwell2014

Ultrafast inter-ionic charge transfer of transition-metal complexes mapped by femtosecond X-ray powder diffraction

Majed Chergui

The transient electronic and molecular structure arising from photoinduced charge transfer in transition metal complexes is studied by X-ray powder diffraction with a 100 fs temporal and atomic spatial resolution. Crystals containing a dense array of Fe(II ...

American Institute of Physics2013

Experimentally Engineering the Edge Termination of Graphene Nanoribbons

Oleg Yazyev, Xiaowei Zhang

The edges of graphene nanoribbons (GNRs) have attracted much interest due to their potentially strong influence on GNR electronic and magnetic properties. Here we report the ability to engineer the microscopic edge termination of high-quality GNRs via hydr ...

Amer Chemical Soc2013