In Silico Discovery of High Deliverable Capacity Metal Organic Frameworks

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Examples for applications of nitrous oxide in organic synthesis remain rare up until today. First mayor contributions of our group were published in 2012, when nitrous oxide was successfully captured by N-heterocyclic carbenes. Subsequent studies investiga ...

Over the past twenty years, photochemical transformations have gained in importance in organic chemistry. Indeed, the development of photocatalysts has allowed the use of visible light as an energy source for chemical transformations. More specifically, ph ...

Metal-organic Frameworks (MOFs) are a class of crystalline porous materials with exceptionally high surface area, chemical tunability and stability. Due to alarming CO2 emission and global concern, research is focused on developing porous materials like MO ...

Generating value, in the form of functional chemicals, from biomass is a critical need of today. It is expected that replacing petroleum with biomass as the source of many commodity and fine chemicals can lead the transition away from a fossil-fuel based e ...

This thesis presents investigations of magnetic and structural properties of two dimensional metal-organic frameworks and of single atoms, both adsorbed on decoupling layers grown on metal surfaces, with focus on rare earth elements. We first report on a ...

Defect engineering in heterostructured carbon-based electrode materials has evolved as an emerging strategy to boost the electrocatalytic activity. Herein, a facile single-step route is reported to synthesize novel N-coordinated bimetal doped graphitic car ...

Nitrous oxide (N2O) has gained much interest because of its physiological effects ("laughing gas") and its negative environmental impact ("greenhouse gas", "ozone-depleting substance"): It has a lifetime of more than 100 years in the atmosphere. Its persis ...

The presence of gas species other than the target adsorbate in practical conditions causes complications in implementing a sorption-based process because of synergistic or detrimental effects on the sorption mechanism. MgO-based sorbents have attracted mas ...

Transition metal-catalyzed C-H activation is a powerful tool for the synthesis of organic building blocks, materials, and natural products. Over the last decade, directing-group-assisted metal-catalyzed C-H functionalization has attracted increasing intere ...

Large-area nanopore drilling is a major bottleneck in state-of-the-art nanoporous 2D membrane fabrication protocols. In addition, high-quality structural and statistical descriptions of as-fabricated porous membranes are key to predicting the corresponding ...

The automated construction of datasets has become increasingly relevant in computational chemistry. While transition-metal catalysis has greatly benefitted from bottom-up or top-down strategies for the curation of organometallic complexes libraries, the fi ...

In Silico Discovery of High Deliverable Capacity Metal Organic Frameworks

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Isolation, Characterisation and Reactivity of N-Heterocyclic Diazoolefins

Photochemical Alkynylations with Hypervalent Iodine Reagents

Amine Functionalization in Porous Adsorbents for Carbon Capture and Conversion

Hydro-processing of biomass using novel metal-organic framework (MOF)/polymer composite catalysts

Magnetism and metal-organic self-assembly of rare-earth atoms on decoupling layers

N-coordinated bimetallic defect-rich nanocarbons as highly efficient electrocatalysts in advanced energy conversion applications

Synthetic chemistry with nitrous oxide and triazenes

Dynamic CO2 sorption on MgO-based sorbent in the presence of CO and H2O at elevated pressures

Rh-catalyzed C-H Bond Heteroarylation with Hypervalent Iodine Reagents and Pd-Catalyzed Tethered Functionalizations of Carbon-Carbon Multiple Bonds

High-Throughput Nanopore Fabrication and Classification Using Xe-Ion Irradiation and Automated Pore-Edge Analysis

OSCAR: an extensive repository of chemically and functionally diverse organocatalysts