Molecular engineering of solid-state materials: organometallic building blocks

1989 ◽  
Vol 111 (5) ◽  
pp. 1698-1719 ◽  
Author(s):  
Paul J. Fagan ◽  
Michael D. Ward ◽  
Joseph C. Calabrese
Keyword(s):  
Solid State ◽  
Building Blocks ◽  
Molecular Engineering ◽  
Solid State Materials

scholarly journals Molecular Clusters: Nanoscale Building Blocks for Solid-State Materials

2018 ◽  
Vol 51 (4) ◽  
pp. 919-929 ◽  
Author(s):  
Andrew Pinkard ◽  
Anouck M. Champsaur ◽  
Xavier Roy
Keyword(s):  
Solid State ◽  
Building Blocks ◽  
Molecular Clusters ◽  
Solid State Materials

scholarly journals From the Superatom to a Large Variety of Supermaterials: A Theoretical Study

2021 ◽  
Author(s):  
◽  
Julia Schacht
Keyword(s):  
Electronic Structure ◽  
Solid State ◽  
Transition Metal ◽  
Gold Cluster ◽  
Functional Materials ◽  
Building Blocks ◽  
Factors Affecting ◽  
Solid State Materials ◽  
The Stability ◽  
The Individual

<p>Metal clusters have been a subject of interdisciplinary research for many years as they act as a bridge between atoms and solid-state materials. In particular, clusters that show distinct thermodynamic stability and unusual atom like behavior, with an electronic shell structure that exhibits a superatomic nature, have attracted considerable attention. The concept of clusters behaving as individual atoms and furthermore mimicking the chemistry of specific elements directly leads to the idea of using those nanoparticles as building blocks for new functional materials. Furthermore, it is interesting that one can change the properties of cluster assembled materials by solely changing the properties of the individual clusters involved.  In this work, various factors affecting superatomic assemblies are identified and critically analyzed within the means of first-principles computations. The icosahedral gold cluster Au₁₃[RS(AuSR)₂]₆ has been chosen as a model system to study the tunability of the electronic structure using single atomic impurities. In this context the doped clusters were found to be tunable such, that they reveal atomic properties, e.g. electron affinities similar to individual halogen atoms. In addition, the choice of ligands protecting the clusters is evaluated regarding the stability of the whole cluster and the involvement of the ligands in creating the superatomic structure. The latter was found to be important when thinking of orbital overlap in superatomic assemblies.  In a next step the knowledge gained is used to investigate cluster-cluster interactions and detect pairs of clusters that are good candidates to create new superatomic materials. Furthermore basic principles regarding cluster assemblies are established and partially tested in an experimental collaboration studing the structure of an Au₉(PPh₃)₈-C₆₀ assembly.  Beyond the investigation of individual gold clusters and gold cluster materials, the electronic structure of binary solid state materials consisting of ligand protected transition metal-chalcogen clusters and fullerenes, as synthesized by Roy et al., is presented. This study shows an intermediate case of non-tunable clusters and furthermore displays the partial loss of the superatomic character of the transition metal chalcogen clusters due to charge transfer.  An experimental collaboration conducted in cooperation with the research group of Prof. Beate Paulus in Berlin proceeds even further and investigates the absorption of water on non-superatomic aluminumoxo fluoride clusters.</p>

scholarly journals From the Superatom to a Large Variety of Supermaterials: A Theoretical Study

2021 ◽  
Author(s):  
◽  
Julia Schacht
Keyword(s):  
Electronic Structure ◽  
Solid State ◽  
Transition Metal ◽  
Gold Cluster ◽  
Functional Materials ◽  
Building Blocks ◽  
Factors Affecting ◽  
Solid State Materials ◽  
The Stability ◽  
The Individual

<p>Metal clusters have been a subject of interdisciplinary research for many years as they act as a bridge between atoms and solid-state materials. In particular, clusters that show distinct thermodynamic stability and unusual atom like behavior, with an electronic shell structure that exhibits a superatomic nature, have attracted considerable attention. The concept of clusters behaving as individual atoms and furthermore mimicking the chemistry of specific elements directly leads to the idea of using those nanoparticles as building blocks for new functional materials. Furthermore, it is interesting that one can change the properties of cluster assembled materials by solely changing the properties of the individual clusters involved.  In this work, various factors affecting superatomic assemblies are identified and critically analyzed within the means of first-principles computations. The icosahedral gold cluster Au₁₃[RS(AuSR)₂]₆ has been chosen as a model system to study the tunability of the electronic structure using single atomic impurities. In this context the doped clusters were found to be tunable such, that they reveal atomic properties, e.g. electron affinities similar to individual halogen atoms. In addition, the choice of ligands protecting the clusters is evaluated regarding the stability of the whole cluster and the involvement of the ligands in creating the superatomic structure. The latter was found to be important when thinking of orbital overlap in superatomic assemblies.  In a next step the knowledge gained is used to investigate cluster-cluster interactions and detect pairs of clusters that are good candidates to create new superatomic materials. Furthermore basic principles regarding cluster assemblies are established and partially tested in an experimental collaboration studing the structure of an Au₉(PPh₃)₈-C₆₀ assembly.  Beyond the investigation of individual gold clusters and gold cluster materials, the electronic structure of binary solid state materials consisting of ligand protected transition metal-chalcogen clusters and fullerenes, as synthesized by Roy et al., is presented. This study shows an intermediate case of non-tunable clusters and furthermore displays the partial loss of the superatomic character of the transition metal chalcogen clusters due to charge transfer.  An experimental collaboration conducted in cooperation with the research group of Prof. Beate Paulus in Berlin proceeds even further and investigates the absorption of water on non-superatomic aluminumoxo fluoride clusters.</p>

Combinatorial Peptide Libraries for Selecting Inorganic-Binding Proteins: A Step in Molecular Biomimetics

2003 ◽  
Vol 773 ◽  
Author(s):  
C. Tamerler ◽  
S. Dinçer ◽  
D. Heidel ◽  
N. Karagûler ◽  
M. Sarikaya
Keyword(s):  
Binding Proteins ◽  
Building Blocks ◽  
Molecular Engineering ◽  
Inorganic Materials ◽  
Combinatorial Peptide Libraries ◽  
Self Assembling ◽  
Complex Functions ◽  
Recent Developments ◽  
Specific Proteins ◽  
Molecular Biomimetics

AbstractProteins, one of the building blocks in organisms, not only control the assembly in biological systems but also provide most of their complex functions. It may be possible to assemble materials for practical technological applications utilizing the unique advantages provided by proteins. Here we discuss molecular biomimetic pathways in the quest for imitating biology at the molecular scale via protein engineering. We use combinatorial biology protocols to select short polypeptides that have affinity to inorganic materials and use them in assembling novel hybrid materials. We give an overview of some of the recent developments of molecular engineering towards this goal. Inorganic surface specific proteins were identified by using cell surface and phage display technologies. Examples of metal and metal oxide specific polypeptides were represented with an emphasis on certain level of specificities. The recognition and self assembling characteristics of these inorganic-binding proteins would be employed in develeopment of hybrid multifunctional materials for novel bio- and nano-technological applications.

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