Self-assembled monolayers of thiols and dithiols on gold: new challenges for a well-known system, Chemical Society Reviews, vol.25, issue.part 2, pp.1805-1834, 2010. ,
DOI : 10.1039/b907301a
Structures of self-assembled monolayer films of organosulfur compounds adsorbed on gold single crystals: electron diffraction studies, Langmuir, vol.4, issue.3, pp.546-558, 1988. ,
DOI : 10.1021/la00081a009
A density functional theory study of the adsorption of sulfur, mercapto, and methylthiolate on Au(111), The Journal of Chemical Physics, vol.116, issue.2, pp.784-790, 2002. ,
DOI : 10.1063/1.1424292
Methylthiolate induced vacancy formation on Au(111): a density functional theoretical study, Surface Science, vol.514, issue.1-3, pp.389-393, 2002. ,
DOI : 10.1016/S0039-6028(02)01657-6
Ordered (3 ?? 4) High-Density Phase of Methylthiolate on Au(111), The Journal of Physical Chemistry B, vol.108, issue.1, pp.16-20, 2004. ,
DOI : 10.1021/jp0365054
The Role of Gold Adatoms and Stereochemistry in Self-Assembly of Methylthiolate on Au(111), Journal of the American Chemical Society, vol.131, issue.36, pp.12989-12993, 2009. ,
DOI : 10.1021/ja902629y
Immobilization of Protein A on SAMs for the elaboration of immunosensors, Colloids and Surfaces B: Biointerfaces, vol.53, issue.2, pp.215-224, 2006. ,
DOI : 10.1016/j.colsurfb.2006.09.010
Building of an immunosensor: How can the composition and structure of the thiol attachment layer affect the immunosensor efficiency?, Biosensors and Bioelectronics, vol.22, issue.3, pp.440-448, 2006. ,
DOI : 10.1016/j.bios.2006.05.018
URL : https://hal.archives-ouvertes.fr/hal-00111673
An Experimental and Theoretical Approach to Investigate the Effect of Chain Length on Aminothiol Adsorption and Assembly on Gold, Chemistry - A European Journal, vol.115, issue.568, pp.14555-14561, 2008. ,
DOI : 10.1002/chem.201500653
URL : https://hal.archives-ouvertes.fr/hal-01275048
Adsorption of Cysteine on the Au(110)-surface: A Density Functional Theory Study, pp.53-60 ,
DOI : 10.1007/978-3-642-04665-0_4
Growth of Unidirectional Molecular Rows of Cysteine on Au(110)-(1x2) Driven by Adsorbate-Induced Surface Rearrangements, Phys. Rev. Lett, pp.93-107, 2004. ,
-Methionine on Au(111), Langmuir, vol.30, issue.1, pp.203-215, 2014. ,
DOI : 10.1021/la404262m
URL : https://hal.archives-ouvertes.fr/hal-00888857
Chain-Branching Control of the Atomic Structure of Alkanethiol-Based Gold???Sulfur Interfaces, Controlled Assembly of Large Pi-Conjugated Aromatic Thiols on Au Experimental and Density Functional Theory Study of the Vibrational Properties of 2-Mercaptobenzimidazole in Interaction with Gold, pp.14856-14859, 2006. ,
DOI : 10.1021/ja204958h
Adsorption and Self-Assembly of Bio- Organic Molecules at Model Surfaces: A Route Towards Increased Complexity Gold Nanoparticles in Biomedical Applications: Recent Advances and Perspectives The Golden Age: Gold Nanoparticles for Biomedicine, Surf. Sci. Rep. Chem. Soc. Rev. Chem. Soc. Rev, vol.70, issue.41, pp.449-553, 2012. ,
Kinetics of Place-Exchange Reactions of Thiols on Gold Nanoparticles, Langmuir, vol.19, issue.12, pp.5172-5174, 2003. ,
DOI : 10.1021/la034581s
A Simple Large-Scale Synthesis of Nearly Monodisperse Gold and Silver Nanoparticles with Adjustable Sizes and with Exchangeable Surfactants, Derivatised Gold Nanoparticles in a Two-Phase Liquid?Liquid System Stucky, G. D., One-Step One-Phase Synthesis of Monodisperse, pp.801-802, 1994. ,
DOI : 10.1021/cm049532v
The Role of Reconstruction in Self-Assembly of Alkylthiolate Monolayers on Coinage Metal Surfaces The Interface Structure of N-Alkylthiolate Self-Assembled Monolayers on Coinage Metal Surfaces, Metallic Nanoparticles and Their Colloidal Crystals Pradier, C.-M., Exploring the Reactivity of Mixed, pp.6550-6551, 2006. ,
Stability of Binary SAMs Formed by ??-Acid and Alcohol Functionalized Thiol Mixtures, Langmuir, vol.25, issue.17, pp.9980-9985, 2009. ,
DOI : 10.1021/la901127g
URL : https://hal.archives-ouvertes.fr/hal-01361365
Ab initio molecular dynamics for liquid metals, Journal of Non-Crystalline Solids, vol.192, issue.193, pp.558-561, 1993. ,
DOI : 10.1016/0022-3093(95)00355-X
total-energy calculations using a plane-wave basis set, Physical Review B, vol.54, issue.16, pp.11169-11186, 1996. ,
DOI : 10.1103/PhysRevB.54.11169
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set, Computational Materials Science, vol.6, issue.1, pp.15-50, 1996. ,
DOI : 10.1016/0927-0256(96)00008-0
molecular-dynamics simulation of the liquid-metal???amorphous-semiconductor transition in germanium, Physical Review B, vol.49, issue.20, pp.14251-14269, 1994. ,
DOI : 10.1103/PhysRevB.49.14251
Norm-Conserving and Ultrasoft Pseudopotentials for First-Row and Transition Elements Soft Self-Consistent Pseudopotentials in a Generalized Eigenvalue Formalism, J. Phys.: Condens. Matter Phys. Rev. B: Condens. Matter, vol.6, issue.41, pp.7892-7895, 1990. ,
From Ultrasoft Pseudopotentials to the Projector Augmented- Wave Method Generalized Gradient Approximation Made Simple Generalized Gradient Approximation Made Simple, Phys. Rev. B: Condens. MatterPhys. Rev. Lett. Phys. Rev. Lett. Perdew, J. P. Phys. Rev. Lett, vol.59, issue.77, pp.1758-1775, 1996. ,
Erratum: Atoms, Molecules, Solids, and Surfaces: Applications of the Generalized Gradient Approximation for Exchange and Correlation, Phys. Rev. B: Condens. Matter, vol.48, pp.4978-4978, 1993. ,
Atoms, Molecules, Solids, and Surfaces: Applications of the Generalized Gradient Approximation for Exchange and Correlation Self-Interaction Correction to Density-Functional Approximations for Many-Electron Systems, Phys. Rev. B: Condens. Matter Phys. Rev. B: Condens. Matter, vol.46, issue.23, pp.6671-6687, 1981. ,
Introduction to Solid State Physics, p.44, 2005. ,
Special points for Brillouin-zone integrations, Physical Review B, vol.13, issue.12 ,
DOI : 10.1103/PhysRevB.13.5188
Improved Tetrahedron Method for, Blöchl, P. E.; Jepsen, O, vol.13, issue.45, pp.5188-5192, 1976. ,
A Consistent and Accurate Ab Initio Parametrization of Density Functional Dispersion Correction ,
Type Density Functional Constructed with a Long-Range Dispersion Correction Towards Extending the Applicability of Density Functional Theory to Weakly Bound Systems, Journal of Computational Chemistry Bashir, A Polymorphism in Self-Assembled Terphenylthiolate Monolayers on Au Langmuir J. Chem. Phys, vol.27, issue.115, pp.1787-1799, 2001. ,
Characterization of ?-Functionalized Undecanethiol Mixed Self-Assembled Monolayers on Au(111): A Combined Polarization Modulation Infrared Reflection-Absorption Spectroscopy ,
URL : https://hal.archives-ouvertes.fr/hal-01361366
Periodic Density Functional Theory Study, Pradier, C. M., Exploring the Reactivity of Mixed, pp.182-190, 2008. ,
Stability of Binary SAMs Formed by ??-Acid and Alcohol Functionalized Thiol Mixtures, and Sh Bond Formation/Breaking During the Formation, pp.9980-9985, 2009. ,
DOI : 10.1021/la901127g
URL : https://hal.archives-ouvertes.fr/hal-01361365
A Theoretical Study, J. Phys. Chem. C, vol.114, issue.54, pp.9444-9452, 2010. ,
Surface: A Theoretical Study Understanding the Phase Diagram of Self-Assembled Monolayers of Alkanethiolates on Gold, Systematic Dft Study of Substrate Reconstruction Effects Due to Thiolate and Selenolate Adsorption, pp.14514-14521, 2011. ,
The role of dispersion forces in metal-supported self-assembled monolayers, Computational and Theoretical Chemistry, vol.1053, pp.322-327, 2015. ,
DOI : 10.1016/j.comptc.2014.10.015
URL : https://hal.archives-ouvertes.fr/hal-01102760
Do Special Noncovalent ??? Stacking Interactions Really Exist? Angew ,
Understanding the Fundamental Role of Dispersion Interactions in Shaping Carbon-Based Materials Formation of Gold-Methanethiyl Self-Assembled Monolayers Density Functional Theory Study of the 1): Role of Gold Adatoms Collective Tilt Behavior in Dense, Substrate-Supported Monolayers of Long-Chain Molecules: A Molecular Dynamics Study, Chem. Eur. J. J. Am. Chem. Soc. Adsorption of Methanthiol on Au Bareman, J. P.; Klein, M. L. J. Phys. Chem, vol.201, issue.94, pp.4931-4941, 1990. ,
Molecular dynamics simulations of long-chain amphiphilic molecules in Langmuir monolayers, Langmuir, vol.9, issue.5, pp.1334-1343, 1993. ,
DOI : 10.1021/la00029a030
Structure of Thioaromatic Self-Assembled Monolayers on Gold and Silver, Langmuir, vol.17, pp.2408-2415, 2001. ,
Revealed by Scanning Tunneling Microscopy, Gold Adatom as a Key Structural Component in Self-Assembled Monolayers of Organosulfur Molecules on Au, pp.8746-8759, 2003. ,
Surface Structure and Chemistry of Alkanethiols on Au(100)-(1 ?? 1) Substrates, The Journal of Physical Chemistry C, vol.120, issue.1, pp.291-296, 1993. ,
DOI : 10.1021/acs.jpcc.5b09459