Quentin Pessemesse
YOU?
Author Swipe
View article: Alloy Reorganization and Dynamics in Group-10-metal-Gallium Nanoparticles under Reactive Atmospheres: Impact on Local Environment and Reactivity.
Alloy Reorganization and Dynamics in Group-10-metal-Gallium Nanoparticles under Reactive Atmospheres: Impact on Local Environment and Reactivity. Open
Bimetallic nanoparticles are catalysts for reactions as COx hydrogenation or propane dehydrogenation. Recently, gallium has been identified as a promoter which enables dispersion of transition metal sites, raising their activity and select…
View article: Harnessing Multi‐Center‐2‐Electron Bonds for Carbene Metal‐Hydride Nanocluster Catalysis
Harnessing Multi‐Center‐2‐Electron Bonds for Carbene Metal‐Hydride Nanocluster Catalysis Open
N ‐Heterocyclic carbene (NHC) ligands possess the ability to stabilize metal‐based nanomaterials for a broad range of applications. With respect to metal‐hydride nanomaterials, however, carbenes are rare, which is surprising if one conside…
View article: Modelling the Impact of Alloying State Dynamics on-the Reactivity of Group-10-Metal-Gallium Nanoparticles.
Modelling the Impact of Alloying State Dynamics on-the Reactivity of Group-10-Metal-Gallium Nanoparticles. Open
Bimetallic nanoparticles are catalysts for reactions, such as COx hydrogenation or propane dehydrogenation. Recently, gallium has been identified as a promoter which enables dispersion of group-X-metal sites, raising activity and selectivi…
View article: Organozinc reagents in solution: insights from ab initio molecular dynamics and X-ray absorption spectroscopy
Organozinc reagents in solution: insights from ab initio molecular dynamics and X-ray absorption spectroscopy Open
Organozinc reagents play a critical role in synthesis, yet our comprehension of their structure-reactivity relationships is limited by a lack of information about their structures in solution. This study introduces a computational workflow…
View article: Harnessing Multi-Center-2-Electron Bonds for Carbene Metal–Hydride Nanocluster Catalysis
Harnessing Multi-Center-2-Electron Bonds for Carbene Metal–Hydride Nanocluster Catalysis Open
N-Heterocyclic carbene (NHC) ligands possess the ability to stabilize metal-based nanomaterials for a broad range of applications. With respect to metal–hydride nanomaterials, however, carbenes are rare, which is surprising if one consider…
View article: Organozinc reagents in solution: insights from ab initio molecular dynamics and X-ray absorption spectroscopy
Organozinc reagents in solution: insights from ab initio molecular dynamics and X-ray absorption spectroscopy Open
Organozinc reagents play a critical role in synthesis, yet our comprehension of their structure-reactivity relationships is limited by a lack of information about their structures in solution. This study introduces a computational workflow…
View article: How salt effects influence the transmetalation and reductive elimination steps of the Negishi coupling: a joined theoretical and experimental study
How salt effects influence the transmetalation and reductive elimination steps of the Negishi coupling: a joined theoretical and experimental study Open
This deposit shows the dynamic DFT results in the Negishi coupling study we have done.
View article: How salt effects influence the transmetalation and reductive elimination steps of the Negishi coupling: a joined theoretical and experimental study
How salt effects influence the transmetalation and reductive elimination steps of the Negishi coupling: a joined theoretical and experimental study Open
This deposit shows the dynamic DFT results in the Negishi coupling study we have done.
View article: Lithium Promotes Acetylide Formation on MgO During Methane Coupling Under Non‐Oxidative Conditions
Lithium Promotes Acetylide Formation on MgO During Methane Coupling Under Non‐Oxidative Conditions Open
A prototypical material for the oxidative coupling of methane (OCM) is Li/MgO, for which Li is known to be essential as a dopant to obtain high C 2 selectivities. Herein, Li/MgO is demonstrated to be an effective catalyst for non‐oxidative…
View article: Lithium Promotes Acetylide Formation on MgO During Methane Coupling Under Non‐Oxidative Conditions
Lithium Promotes Acetylide Formation on MgO During Methane Coupling Under Non‐Oxidative Conditions Open
A prototypical material for the oxidative coupling of methane (OCM) is Li/MgO, for which Li is known to be essential as a dopant to obtain high C 2 selectivities. Herein, Li/MgO is demonstrated to be an effective catalyst for non‐oxidative…
View article: Ti-Doping in Silica-Supported PtZn Propane Dehydrogenation Catalysts: From Improved Stability to the Nature of the Pt–Ti Interaction
Ti-Doping in Silica-Supported PtZn Propane Dehydrogenation Catalysts: From Improved Stability to the Nature of the Pt–Ti Interaction Open
Propane dehydrogenation is an important industrial reaction to access propene, the world's second most used polymer precursor. Catalysts for this transformation are required to be long living at high temperature and robust toward harsh oxi…
View article: Role and dynamics of transition metal carbides in methane coupling
Role and dynamics of transition metal carbides in methane coupling Open
Direct methane coupling – one of the holy grails of industrial chemistry – was shown to involve carbon exchange between the metal carbide matrix and methane.
View article: Role and Dynamics of Transition Metal Carbides in Methane Coupling
Role and Dynamics of Transition Metal Carbides in Methane Coupling Open
Transition metal carbides have numerous applications and are known to excel in terms of hardness, thermal stability and conductivity. In particular, the Pt-like behavior of Mo and W carbides has led to a popularization of metal carbides in…
View article: A Robust and Efficient Propane Dehydrogenation Catalyst from Unexpectedly Segregated Pt2Mn Nanoparticles
A Robust and Efficient Propane Dehydrogenation Catalyst from Unexpectedly Segregated Pt2Mn Nanoparticles Open
The increasing demand for short chain olefins like propene for plastics production and the availability of shale gas make the development of highly performing propane dehydrogenation (PDH) catalysts, robust towards industrially applied har…
View article: A Robust and Efficient Propane Dehydrogenation Catalyst from Unexpectedly Segregated Pt2Mn Nanoparticles
A Robust and Efficient Propane Dehydrogenation Catalyst from Unexpectedly Segregated Pt2Mn Nanoparticles Open
The increasing demand for short chain olefins like propene for plastics production and the availability of shale gas make the development of highly performing propane dehydrogenation (PDH) catalysts, robust towards industrially applied har…
View article: CCDC 2093089: Experimental Crystal Structure Determination
CCDC 2093089: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2093087: Experimental Crystal Structure Determination
CCDC 2093087: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2093088: Experimental Crystal Structure Determination
CCDC 2093088: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …