Hoggan Philip Eric
Fonction : | Permanent (UCA) |
Location : | EUPI Bat. 3/4/L |
Team : | Minamat-Surfaces (PHOTON) |
NUC section : | 28 |
Phone : | +33473405170 |
e-mail : | This email address is being protected from spambots. You need JavaScript enabled to view it. |
Associated publications :
56 publications found2024
ACL
Angle-resolved X-ray photoelectron spectroscopy intensity modeling of SiNx ultrathin layer grown on Si (100) and Si (111) substrates by N2 plasma treatment
Thin Solid Films, vol. 798, p. 140388
2024
Growth mechanisms of GaN/GaAs nanostructures by droplet epitaxy explained by complementary experiments and simulations
journal of physical chemistry c, vol. 128, p. 5168--5178
2024 mar
2022
Investigation of n2 plasma gaas surface passivation efficiency against air exposure: towards an enhanced diode
applied surface science, vol. 579, p. 152191
2022 apr
XPS modeling of GaN/GaAs nanostructure grown by the droplet epitaxy technique
Journal of Electron Spectroscopy and Related Phenomena, vol. 261, p. 147257
2022 07
COM
Growth of GaN nanostructures on GaAs(111)A substrate by Droplet Epitaxy : A theoretical and experimental characterization by XPS spectroscopy
JNSPE 2022 (Journées Nationales des Spectroscopies de PhotoEmission)
2022
2021
ACL
Quantum Monte Carlo with ground-state input to investigate platinum doped aluminium catalyst: H$_2$ production from adsorbed CO.
Advances in Quantum Chemistry, vol. 83, p. 155--170
2021
AFF
Optimization of the anti-reflective coating (SiCxNyH) / Silicon interface by the nitridation process to improve silicon photovoltaic cell performance
PLATHINIUM 2021
2021
AP
PREFACE: New Electron Correlation Methods and their Applications, and Use of Atomic Orbitals with Exponential Asymptotes.
1 Elsevier Philip Hoggan
2021
2020
ACL
Analytical evaluation of relativistic molecular integrals: III. Computation and results for molecular auxiliary functions
Rendiconti Lincei. Scienze Fisiche e Naturali, vol. 31, p. 1089--1103
2020
Quantum Monte Carlo Approach for Determining the Activation Barrier of Water Addition to Carbon Monoxide Adsorbed on Pt(111) within 1 kJ/mol
Journal of Physical Chemistry C, vol. 124, p. 26232--26240
2020 dec.
Selective hydrogen production at Pt(111) investigated by Quantum Monte Carlo methods for metal catalysis
International Journal of Quantum Chemistry, vol. 120, p. 1--7
2020
INV
New findings in search for perfect hydrogen production
PRACE
2020
Quantum Monte Carlo, the method and application to water-gas on Pt(111).
WMES 2020
2020
Selective hydrogen production at Pt(111) investigated by Quantum Monte Carlo methods for metal catalysis
International Journal of Quantum Chemistry, vol. 120, p. 1
2020
2019
ACL
Considering a mixed atomic basis set composed of only 1s STO and 1s GTO in molecular calculations
Chemistry Research Journal, vol. 4, p. 60--66
2019
DFT and experimental FTIR investigations of early stages of (001) and (111)B GaAs surface nitridation
Applied Surface Science, vol. 465, p. 787--794
2019
Physisorption Energy of H and H2 on clean Pt(111) as a useful surface energy reference in Quantum Monte Carlo calculation.
Advances in Quantum Chemistry, vol. 79, p. 1--15
2019
Si doping of vapor–liquid–solid gaas nanowires: n-type or p-type?
Nano Letters, vol. 19, p. 4498--4504
2019 jun
Study of GaN layer crystallization on GaAs(100) using electron cyclotron resonance or glow discharge N2 plasma sources for the nitriding process
Applied Surface Science, vol. 495, p. 143586
2019
INV
QMC for the Water gas shift for hydrogen synthesis on Pt(111)
To be defined
2019
Quantum Monte Carlo: The method and water-gas. Platinum Reaction Observed by Monte-Carlo for Insight into Sustainable Energy. (PROMISE).
WCQNE
2019
AFF
Toward optimum N2 plasma nitriding process for GaAs(100) surface passivation
Journées Surfaces et Interfaces - JSI Nancy, Janvier 2019
2019
2018
ACL
Analytical evaluation of relativistic molecular integrals. I. Auxiliary functions
Rend. Fis. Acc. Lincei, vol. 29, p. 191
2018
Analytical evaluation of relativistic molecular integrals. II. Computational aspect for relativistic molecular auxiliary functions.
Rend. Fis. Acc. Lincei, vol. 30, p. 1
2018
Combined angle-resolved x-ray photoelectron spectroscopy, density functional theory and kinetic study of nitridation of gallium arsenide
applied surface science, vol. 427, p. 662--669
2018 jan
Local NMR susceptibility and nuclear shielding tensors.
Advances in Quantum Chemistry, vol. 76, p. 169
2018
Quantum Monte Carlo Calculations for Industrial Catalysts: Accurately Evaluating the H2 Dissociation Reaction Barrier on Pt(111)
Advances in Quantum Chemistry, vol. 76, p. 273
2018
ACTI
Quantum Monte Carlo: The method. Application to chemically accurate reaction activation barrier evaluation on metal catalysts.
. J. Lasers, Optics and Photonics, vol. 5, p. 26--59
2018
INV
Breakthroughs in Quantum Chemistry
Quantum Laser Fields
2018
Quantum Monte Carlo: The method. Application to chemically accurate reaction activation barrier evaluation on metal catalysts.
Quantum Laser Fields
2018
COM
Global study of self-limited plasma nitridation process for GaAs(100) surface passivation
7th International Conference NANOSEA NANO-structures and nanomaterials SELf-Assembly
2018
Quantum Monte Carlo: The method. Application to chemically accurate reaction activation barrier evaluation on metal catalysts.
To be defined
2018
AFF
N2 plasma passivation of GaAs(100) surface and air exposure study of GaN/GaAs structures
Journées spectroscopies Electroniques, Janvier 2018, Strasbourg
2018
Passivation par voie plasma N2 de la surface de GaAs(100) et étude de l’oxydation de la structures GaN/GaAs
Journees Surfaces et Interfaces (JSI2018), Janvier 2018, Strasbourg
2018
2017
ACL
Quantum Monte Carlo Calculations on a Benchmark Molecule–Metal Surface Reaction: H2 + Cu(111)
J. Chem. Theory Comput, vol. 13, p. 3208--3219
2017
Scaling analysis of Self-assembled structures and related morphological information in epitaxial growth
Superlattices and Microstructures., vol. 102, p. 155--165
2017
COM
In situ ATR-FTIR investigations of early stages of GaAs (001) and (111)B surface nitridation
ECASIA'17 European Conference on Applications of Surface and Interface Analysis
2017
2016
ACL
An Application of the Gaussian Transform for Approximating Some Bessel Functions and Multicenter Integrals Involving 1s Slater-Type Orbitals
Adv. Quantum Chem, vol. 73, p. 139--144
2016
Diffusion Monte Carlo for accurate dissociation energies of 3d transition metal containing molecules
J. Chem. Theory Comput., vol. 12, p. 2583--2597
2016
Solution of the Dirac equation using the Rayleigh-Ritz method: Flexible basis coupling large and small components. Results for one-electron systems
Phys. Rev. E, vol. 94, p. 013302
2016
AP
Quantum Monte Carlo investigation of two catalytic reaction paths for hydrogen synthesis on Pt(111).
ACS S.Tanaka, L. Mitas, P-O Roy
2016
2015
ACL
Benchmark values for molecular three-center integrals arising in the Dirac equation
Phys. Rev. E, vol. 92, p. 043301
2015
Benchmark values for molecular two-electron integrals arising from the Dirac equation
Phys. Rev. E, vol. 91, p. 023303
2015
ACTI
Theory and simulation of selective hydrocarbon oxidation at copper surfaces: Part I methane mild oxidation to methanol, formaldehyde and formic acid
Mediterranean Journal of Chemistry, vol. 1, p. 33--40
2015
Theory and simulation of selective hydrocarbon oxidation at copper surfaces: Part II short-chain alkene expoxidation and bi-reactions
Mediterranean Journal of Chemistry, vol. 1, p. 41--45
2015
INV
Precise Quantum Monte Carlo simulations of H2-metal interactions.
ACS Symposium 1234
2015
2014
ACL
A Density Functional Theory Study of the Adsorption of 2-Cyclohexenone on Rh(111)
Adv. Quantum Chem., vol. 68, p. 175--190
2014
Asymptotic Expansions of Barnett–Coulson–Löwdin Functions of High Order
Adv. Quantum Chem, vol. 68, p. 43--76
2014
Performance of numerical approximation on the calculation of overlap integrals with noninteger n-Slater orbitals
Phys. Rev. E, vol. 89, p. 053307
2014
Quantum Monte Carlo for Activated Reactions at Solid Surfaces: Time Well Spent on Stretched Bonds
International Journal of Quantum Chemistry, vol. 114, p. 1150--1156
2014
Relative Advantages of Quantum Monte Carlo Simulation for Changing Electron Correlation: CO Reactions on Copper and Platinum Catalysts
Adv. Quantum Chem, vol. 68, p. 89--103
2014
Vapor liquid solid-hydride vapor phase epitaxy (vls-hvpe) growth of ultra-long defect-free gaas nanowires: ab initio simulations supporting center nucleation
journal of chemical physics, vol. 140, p. 194706
2014 may
ACTI
Hydride VPE: the unexpected process for fast growth of GaAs and GaN nanowires with record aspect ratio and polytypism-free crystalline structure
SPIE
2014
INV
QMC for catalysis at metal surfaces.
None
2014 feb. 25
2013
ACL
Development of monte-carlo simulations for nano-patterning surfaces associated with mm-epes analysis: application to different si(111) nanoporous surfaces
surface science, vol. 618, p. 72--77
2013
ACTI
Hydride vpe: the unexpected process for the fast growth of gaas and gan nanowires with record aspect ratio and polytypism-free crystalline structure
micro/nano materials, devices, and systems
2013
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