First-Principle Investigations on the Electronic and Transport Properties of PbBi2Te2X2 (X = S/Se/Te) Monolayers
Weiliang Ma
,
Jing Tian
,
Pascal Boulet
,
Marie-Christine Record
Article dans une revue
hal-03520466v1
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Oxidation of methanol to formaldehyde catalyzed by V2O5. A density functional theory study
P. Boulet
,
A. Baiker
,
H. Chermette
,
F. Gilardoni
,
J.C. Volta
,
et al.
Journal of Physical Chemistry B , 2002, 106, pp.9659-9667
Article dans une revue
hal-00007184v1
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DFT calculations of electronic and transport properties of substituted Mn4Si7
A. Allam
,
P. Boulet
,
M.-C. Record
Article dans une revue
hal-01756353v1
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On the Prediction of Thermoelectric Properties of Low-Dimensional Materials by Density Functional Theory
P. Boulet
,
Marie-Christine Record
Eds.: Joseph Morin and Jean Marie Pelletier, Nova Science Publishers
Density Functional Theory: Principles, Applications and Analysis ,
, 2013
Chapitre d'ouvrage
hal-01757699v1
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Adsorption of small uremic toxin molecules on MFI type zeolites from aqueous solution
David Bergé-Lefranc
,
H. Pizzala
,
Jean-Louis Paillaud
,
Oliver Schäf
,
Christelle Vagner
,
et al.
Adsorption - Journal of the International Adsorption Society , 2008, 14 (2-3), pp.377-387
Article dans une revue
hal-00298333v1
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Computational Investigation of the Electronic and Thermoelectric Properties of Strained Bulk Mg2Si
Hilal Balout
,
P. Boulet
,
Marie-Christine Record
Article dans une revue
hal-01756350v1
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Skutterudites for Thermoelectric Applications: Properties, Synthesis and Modelling
R Carlini
,
C F Fanciulli
,
P. Boulet
,
M C Record
,
V V Romaka
,
et al.
Cristina Artini.
Alloys and Intermetallic Compounds: From Modeling to Engineering ,
CRC press Taylor&Francis , 2017, 9781498741439
Chapitre d'ouvrage
hal-01483329v1
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Thermoelectric Properties of Sb-S System Compounds from DFT Calculations
Hailong Yang
,
P. Boulet
,
Marie-Christine Record
Article dans une revue
hal-03229981v1
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First-principles calculations on CuInSe 2 /AlP heterostructures
Pingping Jiang
,
Marie-Christine Record
,
P. Boulet
Article dans une revue
hal-03110887v1
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Structure-Property Relationships of 2D Ga/In Chalcogenides
Pingping Jiang
,
Marie-Christine Record
,
P. Boulet
Article dans une revue
hal-03230034v1
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Intercalation of p-Aminopyridine and p-Ethylenediamine Molecules into Orthorhombic In1.2Ga0.8S3 Single Crystals
Aysel B Rahimli
,
Imamaddin R Amiraslanov
,
Zakir A Jahangirli
,
Naila H Aliyeva
,
Pascal Boulet
,
et al.
Article dans une revue
hal-04046415v1
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Lychee-like TiO2@Fe2O3 Core-Shell Nanostructures with Improved Lithium Storage Properties as Anode Materials for Lithium-Ion Batteries
Yuan Chen
,
Feihong Liu
,
Yufei Zhao
,
Mengdie Ding
,
Juan Wang
,
et al.
Article dans une revue
hal-04046591v1
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Absorption and emission spectroscopy of matrix-isolated benzo[g,h,i]perylene: an experimental and theoretical study for astrochemical applications
X. Chillier
,
P. Boulet
,
H. Chermette
,
F. Salama
,
J. Weber
Journal of Chemical Physics , 2001, 115, pp.1769-1776
Article dans une revue
hal-00007129v1
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Adsorption from aqueous solution of small uremic toxin molecules on MFI type zeolites
David Bergé-Lefranc
,
Christelle Vagner
,
Oliver Schäf
,
H. Pizzala
,
Jean-Louis Paillaud
,
et al.
9th International Conference on Fundamentals of Adsorption , May 2007, Giardini Naxos, Italy
Communication dans un congrès
hal-00161378v1
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Adsorption in cylindrical pores: Mixed lattice-site/off-site Monte Carlo simulations in pores with heterogeneous wall structure
B. Kuchta
,
Lucyna Firlej
,
P. Boulet
,
M. Marzec
Applied Surface Science , 2007, 253 (13), pp.5596-5600
Article dans une revue
hal-00548889v1
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Structural investigation of the Zn1−xCdxSb solid solution by density-functional theory approach
Pascal Boulet
,
Marie-Christine Record
Article dans une revue
istex
hal-01756351v1
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Thermoelectric Properties of Sn-Containing Mg 2 Si Nanostructures
Hilal Balout
,
Pascal Boulet
,
Marie-Christine Record
Article dans une revue
hal-01483322v1
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Theoretical Investigations of the BaRh2Ge4X6 (X = S, Se, Te) Compounds
P. Boulet
,
Marie-Christine Record
Article dans une revue
hal-03563167v1
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Polycrystalline Mg2Si thin films: A theoretical investigation of their electronic transport properties
H. Balout
,
P. Boulet
,
M.-C. Record
Article dans une revue
hal-01416752v1
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Cu-Sb-Te ternary phase diagram evaluation
H. Yang
,
P. Boulet
,
M. -C. Record
Effenberg, G. Binary and Ternary Evaluations , 2019
Chapitre d'ouvrage
hal-03572360v1
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New insight into the structure-property relationships from chemical bonding analysis: Application to thermoelectric materials
Hailong Yang
,
Pascal Boulet
,
Marie-Christine Record
Article dans une revue
hal-02505941v1
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Adsorption de petites toxines urémiques sur les zéolithes : un premier pas vers un rein artificiel
David Bergé-Lefranc
,
Christelle Vagner
,
Oliver Schäf
,
Pascal Boulet
,
Hélène Pizzala
,
et al.
3ème réunion GFZ-GECat-DivCat (39ème réunion du GECat-DivCat et 23ème réunion du Groupe Français des Zéolithes (GFZ)) , May 2007, La Grande Motte, France
Communication dans un congrès
hal-00161766v1
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Adsorption of small uremic toxin molecules onto zeolites: A first step towards an alternative kidney.
David Bergé-Lefranc
,
C. Vagner
,
O. Schäf
,
P. Boulet
,
H. Pizzala
,
et al.
15th International Zeolite Conference , Aug 2007, Bejing, China
Communication dans un congrès
hal-00161817v1
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Heat transfer components at the surface of burning thick PMMA slabs
P. Mindykowski
,
Y. Pizzo
,
L. Rigollet
,
C. Lallemand
,
A. Kaiss
,
et al.
Communication dans un congrès
hal-01459949v1
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Effect of Biaxial Strain on Electronic and Thermoelectric Properties of Mg2Si
Hilal Balout
,
Pascal Boulet
,
Marie-Christine Record
Article dans une revue
istex
hal-01756326v1
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Influence of the modified Becke-Johnson exchange potential on thermoelectric properties: Application to Mg 2 Si
Pascal Boulet
,
Marie-Christine Record
Article dans une revue
hal-01756310v1
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Oleylamine-assisted solvothermal synthesis of copper antimony sulfide nanocrystals: Morphology and phase control
M Bella
,
C. Rivero
,
S. Blayac
,
H Basti
,
M C Record
,
et al.
Article dans une revue
hal-01483318v1
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Influence of atomic order on the enthalpy of formation and bulk modulus of the sigma phase
Wei Liu
,
Xiao-Gang Lu
,
P. Boulet
,
Marie-Christine Record
,
Qing-Miao Hu
Article dans une revue
hal-01741449v1
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Photochemistry of the CpNiNO complex. A theoretical study using density functional theory
P. Boulet
,
H. Chermette
,
J. Weber
Inorganic Chemistry , 2001, 40, pp.7032-7039
Article dans une revue
hal-00007133v1
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Absorption spectra of several metal complexes revisited by the time-dependent density-functional theory-response theory formalism
P. Boulet
,
H. Chermette
,
C. Daul
,
F. Gilardoni
,
F. Rogemond
,
et al.
Journal of Physical Chemistry A , 2001, 105, pp.885-894
Article dans une revue
hal-00007134v1
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