Browsing by Author "Vanpoucke, Danny"

A combined experimental and theoretical investigation of the Al-Melamine reactive milling system: A mechanistic study towards AlN-based ceramics

Can europium atoms form luminescent centres in diamond: A combined theoretical-experimental study

Computational chemistry experiment possibilities

Deep Eutectic Solvents as Nonflammable Electrolytes for Durable Sodium-Ion Batteries

Doping diamond with luminescent centres: the lectronic structure of Ge and Eu defect-complexes

Elucidating the optimized P2 type Na0.67Mn1-xCuxO2 cathode active material via operando XAS

Experimental and theoretical study on the effect of methane concentration on the properties of heavily boron-doped single crystal diamond layers

Fabrication and Photoluminescence Studies of Tin-Vacancy Centers in Chemical Vapor Deposition Diamond

First-principles investigation of hydrogen-related reactions on (100)-(2 x 1):H diamond surfaces

Glass transition temperature prediction in lignin polyurethanes using machine learning on small experimental dataset

How to verify the precision of density-functional-theory implementations via reproducible and universal workflows

Hydration sphere structure of architectural molecules: Polyethylene glycol and polyoxymethylene oligomers

Impact of methane concentration on surface morphology and boron incorporation of heavily boron-doped single crystal diamond layers

Impact of methane concentration on surface morphology and boron incorporation of heavily boron-doped single crystal diamond layers

Influence of diamond crystal orientrtion on the interaction with biological matter

Influence of methane concentration on morphology and electrical properties of highly boron-doped single crystal diamond layers

Investigation of structural, lectronic and magnetic properties of breathing metal-organic framework MIL-47 (Mn): a first principles approach

Linker functionalization in MIL-47(V)-R metal-organic frameworks: understanding the electronic structure

Luminescent centres in diamond: Ge & Eu defect-complexes

Mechanochemical synthesis of nanostructured metal nitrides, carbonnitrides and carbon nitride: a combined theoretical and experimental study