Q. Wang, D. Tichit, F. Menier, H. Guesmi
Journal of Physical Chemistry C xx (2020) xx DOI:https://doi.org/10.1021/acs.jpcc.0c01296.
45/"Recent advances in the electrooxidation of biomass-based organic molecules for energy, chemicals and hydrogen production "
Y. Holade, N. Tuleushova, S. Tingry, K. Servat, T.W. Napporn, H. Guesmi, D. Cornu, K.B. Kokoh
Catalysis Science & Technology xx (2020) xx DOI:https://doi.org/10.1039/C9CY02446H.
44/"Reshaping dynamics of gold nanoparticles under H2 and O2 at atmospheric pressure: Environmental gas transmission electron microscopy and theoretical modeling"
A. Chmielewski, J. Meng, B. Zhu, yi Gao, H. Guesmi, J. Nelayah, et. al.
ACS Nano 13 (2019) 2024-2033.
I.-C Oguz, H. Guesmi, D. Bazin and F. Tielens
Journal of Physical Chemistry C 123 (2019) 20314-20318.
42/"Stability of nanostructured Silver-Platinium alloys"
J. Wisniewska, H. Guesmi, M. Ziolek and F. Tielens
Journal of Alloys and compounds 760 (2019) 934-941.
41/ "High Performance of PtCu@TiO2 nanocatalysts twoard methanol oxidation reaction: from synthesis to molecular picture insight."
N. Dimitrova, M. Dhifallah, T. Mivéva, Tz. Boiadjieva-Scherzer, H. Guesmi and J. Georgieva
RCS Advances, 9 (2019), 2073-2080.
40/ "Support Effects Examined by a Comparative Theoretical Study of Au, Cu and CuAu Nanoclusters on Rutile and Anatase Surfaces"
M. Dhifallah, M. Iachella, A. Dhouib, F. Di Renso, D. Loffreda and H. Guesmi
Journal of Physical Chemestry C 123 (2019) 4892-4902.
39/ "Equilibrium Au-Pd(100) Surface Structures Under CO Pressure: Energetic Stabilities and Phase Diagrams"
I.-C Oguz, T. Mineva, J. Creuze and H. Guesmi
Journal of Physical Chemestry C, 122 (2018) 18922-18932.
38/ "Bienvenue dans le monde de l'or nanométrique! Regards croisés des chimistes, physiciens et biologistes"
H. Guesmi et O. Pluchery
Actualité Chimique 425 (2018) 15-32.
37/ "Les nanoparticules d'or pour la catalyse"
H. Guesmi et C. Louis
Actualité Chimique 425 (2018) 17-20.
36/ " The effect of Pd ensemble Structure on the O2 Dissociation and CO Oxidation Mechanisms on Au-Pd(100) Surface Alloys"
I-C Oguz, T. Minéva and H. Guesmi
Journal of Chemical Physics 148 (2018) 024701-10.
35/ "Magic compositions in Pd-Au nanoalloys ."
B. Zhu, A. Front, H. Guesmi, J. Creuze, B. Legrand, C. Mottet
Computational and Theoretical Chemistry 1107 (2017) 49-56.
34/ "Does the S-H Bond Always Break after Adsorption of a Alkythiol on Au(111)?"
H. Guesmi, N.B. Luque, E. Santos and F. Tielens
Chemistry-A European Journal 23 (2017), 1402-1408.
33/ "First-principles study of Au-Cu alloy surface changes induced by gas adsorptions CO, NO or O2."
M. Dhifallah, A. Dhouib, S. Aldulaijan, F. Direnzo and H. Guesmi
Journal of Chemical Physics 145 (2016) 024701-024708.
32/ "Interaction of Hydrogen with Au Modified by Pd and Rh in View of Electrochemical Applications."
M.F. Juarez, G. Soldano, E. Santos, H. Guesmi, F. Tielens and T. Mineva
Computation 4-26 (2016), 1-12.
31/ "Characterisation of Tungsten Monomeric Oxide Species Supported on Hydroxylated Silica; A DFT study."
H. Guesmi, R. Grybos, J. Handzlik, F. Tielens
RSC Advances 6-45 (2016) 39424-39432.
30/ "CO Adsorption-Induced Surface Segregation and Formation of Pd chains in Au-Pd(100) alloy: DFT-Based Ising Model and Monte Carlo Simulations."
B. Zhu, J. Creuze, C. Mottet, B. Legrand and H. Guesmi
Journal of Physical Chemistry C 120 (2016) 350-359.
29/ "Investigation of Finite Size Effect in Chemical Bonding of AuPd nanoalloys."
B. Zhu, I.C. OGUZ, H. Guesmi
Journal of Chemical Physics 143 (2015) 144309-8.
28/ "Surface segregation in AuPd alloys: Ab-initio analysis of driving forces. "
J. Creuze, H. Guesmi, C. Mottet, B. Zhu and B. Legrand
Surface Science 639 (2015) 48-53.
27/ "On the relaionship betwwen the basicity of a surface and its ability to catalyze transesterification in liquid and gas pase: the case of MgO"
D. Cornu, H. Guesmi, G. Laugel, J-M. Krafft and H. Lauron-Pernot
Physical Chemistry Chemical Physics 17 (2015) 14168-14176.
26/ "Crossover among structural motifs in Pd-Au nanoalloys"
B. Zhu, H. Guesmi, J. Creuze, B. Legrand and C. Mottet
Physical Chemistry Chemical Physics 17 (2015) 28129-28136.
25/ "Catalytic Propeties of Au electrods modified by an underlayer of Pd."
M.F. Juarez, G. Soldano, H. Guesmi, F. Tielens and E. Santos
Surface Science 631 (20115) 235.
24/ "Density Functional Study of Pd13 magnetic isomers in gas-phase and on (100)-TiO2 Anatase."
O. Gantassi, Ch. Menakbi, N. Derbel, H. Guesmi and T. Minéva
Journal of Physical Chemistry C 119 (2015) 3153-3162.
23/ "How surface hydroxyls enhance MgO reactivity in basic catalysis:The case of methylbutynol conversion."
H. Petitjean, H. Guesmi, H. Lauron-Pernot, G. Costentin, D. Loffreda, Ph. Sautet and F. Delbecq
ACS Catalysis 4 (2014) 4004.
22/ "Characterization of Molybdenum Monomeric Oxide Species Supported on Hydroxylated Silica: A DFT Study."
H. Guesmi, R. Grybos, J. Handzlik, F. Tielens
Physical Chemistry Chemical Physics 16-34 (2014) 18253.
21/ "Density Functional Theory study of CO-inducing segregation in Gold-based alloys"
M. Sansa, A. Dhouib and H. Guesmi
Journal of Chemical Physics 141 (2014) 064709.
20/ "Influence of natural adsorbates of magnesium oxide on its reactivity in basic catalysis."D. Cornu, H. Petitjean, G. Costentin, H. Guesmi, J-M. Krafft and H. Lauron-Pernot
Physical Chemistry Chemical Physics 15 (2013) 19870.
19/ "Theoretical insights on the effect of reactive gas on the chemical ordering of gold-based alloys." H. Guesmi
Gold Bulletin 46 (2013) 213.
18/"Evidence of Pd segregation and stabilization at edges of AuPd nano-clusters in the presence of CO: a combined DFT and DRIFTS study."B. Zhu, G. Thrimurthu, L. Delannoy, C. Louis, C. Mottet, J. Creuze, B. Legrand and H. Guesmi
Journal of Catalysis 308 (2013) 272.
17/ "DFT study of the M segregation on MAu alloys (M=Ni, Pd, Pt) in presence of adsorbed oxygen O and O2." A. Dhouib and H. Guesmi
Chemical Physics Letters, 521 (2012) 98.
16/ "Chromium Oxide Species Supported on Silica; a Representative Periodic DFT Model." H. Guesmi and F. Tielens
Journal of Physical Chemistry C 116 (2012), 994.
15/ "Lewis acido-basic interactions between CO2 and MgO surface: DFT and DRIFT approaches." D. Cornu, H. Guesmi, Jean-Marc Kraft and H. Lauron-Pernot
Journal of Physical Chemistry C 116 (2012), 6645.
14/ "A combined experimental and theoretical study of the simultaneous occupation of SIa and SI′ sites in fully dehydrated K–LSX." H. Guesmi, P. Massiani, H. Nouali and J. -L. Paillaud
Journal of Microporous and Mesoporous Materials 159 (2012) 87.
13/ "Chemisorbed Atomic Oxygen Inducing Pd segregation in PdAu alloy: Energetic and Electronic DFT analysis." H. Guesmi, C. Louis and L. Delannoy
Chemical Physics Letters 503 (2011) 97.
12/ "Evolution of Nickel coordination to lattice oxygens in LSX, X and Y sodium faujasites: A DFT study." H. Guesmi, D. Costa, D. Berthomieu and P. Massiani,
Journal of Physical Chemistry C 115-13 (2011) 5607.
11/ "A combined EXAFS and DFT study of the Ni2+ environment in dehydrated Ni/NaX." H. Guesmi and P. Massiani
Catalysis Today 177 (2011) 25.
10/ "How does CO capture process on microporous NaY zeolite? A FTIR and DFT combined study." O. Cairon and H. Guesmi
Physical Chemistry Chemical Physics 13 (2011) 11430.
9/ "Kinetic order temperature dependence during N2O decomposition over Fe-ZSM-5: a combined DFT and experimental evidence." H. Guesmi, D. Berthomieu, A. Bryan, B. Coq and L. Kiwi-Minsker
Physical Chemistry Chemical Physics 12 (2010) 2873.
8/ "Reactivity of oxygen species formed upon N2O dissociation over Fe-ZSM-5 zeolite: CO oxidation as a model." H. Guesmi, D. Berthomieu, and L. Kiwi-Minsker
Catalysis Communication 11 (2010) 12.
7/ "N2O decomposition catalysed by (μ-oxo)(μ-hydroxo)diiron complex supported by ZSM-5 zeolite: effect of cluster size on DFT energy profile." H. Guesmi, D. Berthomieu and Kiwi-Minsker
Studies in Surface Science and Catalysis, 174 (2008) 1123.
6/ "DFT study on Nitrous Oxide decomposition by binuclear Fe-center in Fe/ZSM-5 zeolite." H. Guesmi, D. Berthomieu and Kiwi-Minsker
Journal of Physical Chemistry C, 112-51 (2008) 20319.
5/ "Coverage dependence of Sb/Si(111) adsorption/desorption modes: interplay between chemical interactions and site transitions." H. Guesmi, L. Lapena, G. Tréglia and P. Müller
Physical Review B 77-8 (2008) 085402.
4/ "Role of elastic anisotropy on self-organization of stressed domains on (001) surfaces of cubic crystals." B. Croset, H. Guesmi and G. Prévot
Physical Review B76-3 (2007) 73405.
3/ "Ordered growth of nanodots on a pre-structured metallic template: Au/N/Cu(001)." G. Prévot, H. Guesmi and B. Croset,
Surface Science 601 (2007) 2017.
2/ " Sb/Si(111) adsorption: hidden phase transitions behind Langmuir-like isotherms." H. Guesmi, L. Lapena, A. Ranguis, P. Müller and G. Trégli
Physical Review Letters 94-7 (2005) 76101.
1/ "Kinetics study of antimony adsorption on Si(111)." L. Lapena, P. Müller, G. Quentel, H. Guesmi and G. Tréglia
Applied Surface Science 212-213 (2003) 715.