Valentina Cantatore

Showing 12 publications

2020

Evidence for Electron Transfer between Graphene and Non-Covalently Bound pi-Systems

Steffen Brülls, Valentina Cantatore, Zhenping Wang et al
Chemistry - A European Journal. Vol. 26 (29 (Special Issue)), p. 6694-6702
Journal article
2020

Insights into the zinc effect on radio-cobalt deposition on stainless steel piping surfaces under BWR conditions from experiment guided 1st principles modelling

Valentina Cantatore, Christine Geers, Jiaxin Chen et al
Journal of Nuclear Materials. Vol. 540
Journal article
2019

Oxidation Driven Permeation of Iron Oxide Scales by Chloride from Experiment Guided First-Principles Modeling

Valentina Cantatore, Mercedes Andrea Olivas Ogaz, Jesper Liske et al
Journal of Physical Chemistry C. Vol. 123 (42), p. 25957-25966
Journal article
2018

Design strategy of a graphene based bio-sensor for glucose

Valentina Cantatore, Santosh Pandit, Venkata Raghu Mokkapati et al
Carbon. Vol. 137, p. 343-348
Journal article
2018

Role of potassium in the enhancement of the catalytic activity of calcium oxide towards tar reduction

Pavleta Knutsson, Valentina Cantatore, Martin Seemann et al
Applied Catalysis B: Environmental. Vol. 229, p. 88-95
Journal article
2017

Enhanced Manifold of States Achieved in Heterostructures of Iron Selenide and Boron-Doped Graphene

Valentina Cantatore, Itai Panas
Condensed Matter. Vol. 2 (4), p. 34-
Journal article
2017

Towards multifunctional coating in the boron-doped graphene/copper system

Valentina Cantatore, Itai Panas
Carbon. Vol. 115, p. 375-379
Journal article
2016

Photoisomerization of Self-Assembled Monolayers of Azobiphenyls: Simulations Highlight the Role of Packing and Defects

Valentina Cantatore, G. Granucci, G. Rousseau et al
Journal of Physical Chemistry A. Vol. 7 (19), p. 4027-4031
Journal article
2016

Towards catalytic nitric oxide reduction via oligomerization on boron doped graphene

Valentina Cantatore, Itai Panas
Journal of Chemical Physics. Vol. 144, p. 151102-
Journal article
2016

Ab initio modeling of 2D layered organohalide lead perovskites

A. Fraccarollo, Valentina Cantatore, G. Boschetto et al
Journal of Chemical Physics. Vol. 144 (16)
Journal article
2016

Possible Socket-Plug Standard Connection for Functionalized Graphene – Validation by DFT

Valentina Cantatore, Itai Panas
Carbon. Vol. 104, p. 40-46
Journal article
2016

Communication: Towards catalytic nitric oxide reduction via oligomerization on boron doped graphene

Valentina Cantatore, Itai Panas
Journal of Chemical Physics. Vol. 144 (15)
Journal article

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Showing 2 research projects

2019–2022

A Chemical Approach for the Safety of Lead and Lead/Bismuth Cooled Gen IV Reactors

Teodora Retegan Vollmer Nuclear Chemistry
Christine Geers Environmental Inorganic Chemistry
Valentina Cantatore Environmental Inorganic Chemistry 2
Swedish Research Council (VR)

2018–

Light-weight high temperature materials beyond nickel-base alloys

Christine Geers Environmental Inorganic Chemistry
Valentina Cantatore Environmental Inorganic Chemistry 2
Chalmers

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