List of works - Pascal Pochet

An atomistic vision of the Mass Action Law: Prediction of carbon/oxygen defects in silicon

article published in 2015

Atomic structure of Mn-rich nanocolumns probed by x-ray absorption spectroscopy

Band gap engineering via edge-functionalization of graphene nanoribbons

research work

Beyond van der Waals Interaction: The Case of MoSe2 Epitaxially Grown on Few-Layer Graphene.

scientific article published on 31 January 2018

Boron aggregation in the ground states of boron-carbon fullerenes

scholarly article by Stephan Mohr et al published 10 January 2014 in Physical Review B

CVD graphene recrystallization as a new route to tune graphene structure and properties

scholarly article in Carbon, vol. 102, June 2016

Charge transfers and charged defects in WSe2 /graphene-SiC interfaces

scientific article published on 17 March 2020

Control of magnetic properties of epitaxial Mn5Ge3Cxfilms induced by carbon doping

scholarly article in Physical Review B, vol. 84 no. 16, October 2011

Controlling Rotation of Two-Dimensional Material Flakes

scientific article published on 23 May 2019

Critical thickness for interface misfit dislocation formation in two-dimensional materials

scholarly article in Physical Review B, vol. 93 no. 21, June 2016

Deciphering mechanisms of enhanced-retarded oxygen diffusion in doped Si

Defect-induced magnetism in graphite through neutron irradiation ⬇️

scholarly article in Physical Review B, vol. 90 no. 21, December 2014

Degenerate epitaxy-driven defects in monolayer silicon oxide on ruthenium ⬇️

scholarly article in Physical Review B, vol. 92 no. 16, October 2015

Direct Electrical Probing of Periodic Modulation of Zinc-Dopant Distributions in Planar Gallium Arsenide Nanowires

scientific article published on 30 January 2017

Electronic Band Structure of Ultimately Thin Silicon Oxide on Ru(0001)

scientific article published on 01 April 2019

Energy Landscape of Fullerene Materials: A Comparison of Boron to Boron Nitride and Carbon

scientific article (publication date: June 2011)

Evidence of the Ge nonreactivity during the initial stage of SiGe oxidation

First principles prediction of the metastability of the Ge2Mn phase and its synthesis pathways

First-principles prediction of stable SiC cage structures and their synthesis pathways

scholarly article in Physical Review B, vol. 82 no. 3, July 2010

First-principles study of near surface point defects stability in Si (100) and SiGe(100)

Formation and evolution of oxygen-vacancy clusters in lead and tin doped silicon

Germanium diffusion mechanisms in silicon from first principles

scholarly article by Damien Caliste et al published 8 March 2007 in Physical Review B

Impact of isovalent doping on radiation defects in silicon

Impact of isovalent doping on the trapping of vacancy and interstitial related defects in Si

Interface identification of the solid electrolyte interphase on graphite

scholarly article in Carbon, vol. 111, January 2017

Interface-driven phase separation in multifunctional materials: The case of the ferromagnetic semiconductor GeMn

scholarly article in Physical Review B, vol. 85 no. 11, March 2012

Lead incorporation mechanism in LiF crystals

Low-energy boron fullerenes: Role of disorder and potential synthesis pathways

scholarly article in Physical Review B, vol. 83 no. 8, February 2011

Mg and In Codoped p-type AlN Nanowires for pn Junction Realization

scientific article published on 14 November 2019

Millimeter-scale layered MoSe2 grown on sapphire and evidence for negative magnetoresistance

Modeling of aging in plutonium by molecular dynamics

scholarly article by Pascal Pochet published April 2003 in Nuclear Instruments & Methods in Physics Research B

Modelling of point defect complex formation and its application to H + ion implanted silicon

Molecular dynamics simulation of silicon oxidization

Nitrogen implantation of suspended graphene flakes: Annealing effects and selectivity of sp2 nitrogen species

article

Nitrogen segregation in nanocarbons

scientific article

Optimized energy landscape exploration using the ab initio based activation-relaxation technique.

scientific article published in July 2011

Order-disorder transformation in Fe-Al under ball milling

scientific article published on 01 August 1995

Oxygen in silicon: Switch in the diffusion-mediated mechanism

scholarly article in Physical Review B, vol. 96 no. 19, November 2017

Passivation mechanism in CdTe solar cells: The hybrid role of Se

Phase diagram, structure, and magnetic properties of the Ge-Mn system: A first-principles study

scholarly article in Physical Review B, vol. 83 no. 17, May 2011

Point defect diffusion in Si and SiGe revisited through atomistic simulations

article published in 2012

Point defect engineering strategies to suppress A-center formation in silicon

Probing Potential Energy Surface Exploration Strategies for Complex Systems

scientific article published in April 2015

Response to “Comment on ‘Structural, electronic, and optical properties of the C-C complex in bulk silicon from first principles’” [J. Appl. Phys. 124, 086101 (2018)]

Revisiting the domain model for lithium intercalated graphite ⬇️

Selecting boron fullerenes by cage-doping mechanisms