Publications associées à Molecular engineering

Gigahertz Frame Rate Imaging of Charge-Injection Dynamics in a Molecular Light Source

Klaus Kern, Markus Etzkorn, Anna Maria Roslawska, Abhishek Grewal

Light sources on the scale of single molecules can be addressed and characterized at their proper sub-nanometer scale by scanning tunneling microscopy-induced luminescence (STML). Such a source can be driven by defined short charge pulses while the lumines ...

AMER CHEMICAL SOC2021

Quantum vibronic effects on the electronic properties of solid and molecular carbon

Michele Ceriotti, François Gygi, Han Yang

We study the effect of quantum vibronic coupling on the electronic properties of carbon allotropes, including molecules and solids, by combining path integral first principles molecular dynamics (FPMD) with a colored noise thermostat. In addition to avoidi ...

AMER PHYSICAL SOC2021

Nanoparticle-Induced Disorder at Complex Liquid-Liquid Interfaces: Effects of Curvature and Compositional Synergy on Functional Surfaces

Francesco Stellacci, Youwei Ma

The self-assembly of surfactant monolayers at interfaces plays a sweeping role in tasks ranging from household cleaning to the regulation of the respiratory system. The synergy between different nanoscale species at an interface can yield assemblies with e ...

AMER CHEMICAL SOC2021

High-Resolution Transmission Electron Microscopy with Bright Microsecond Electron Pulses

Marcel Drabbels, Ulrich Lorenz, Pavel Olshin, Gabriele Bongiovanni

Transmission electron microscopy at atomic-resolution is a crucial tool in a variety of fields, ranging from materials science to biology. [1,2] Fast electron cameras have recently enabled high-speed observations atomic resolution. [3] Moreover, they have ...

2021

On the Electronic and Optical Properties of Metal-Organic Frameworks: Case Study of MIL-125 and MIL-125-NH2

Berend Smit, Alfredo Pasquarello, Kyriakos Stylianou, Francesco Ambrosio, Gloria Capano, Stavroula Kampouri

The photo-active MIL-125 and MIL-125-NH2 metal-organic frameworks (MOFs), despite having a very similar crystalline structure, exhibit different optical behaviors. Luminescence in MIL-125 decays in about 1 ns, while for its amino counterpart, the lifetime ...

2020

Synergistic CO2-Sieving from Polymer with Intrinsic Microporosity Masking Nanoporous Single-Layer Graphene

Kumar Varoon Agrawal, Mounir Driss Mensi, Luis Francisco Villalobos Vazquez de la Parra, Shiqi Huang, Guangwei He, Jing Zhao, Wan-Chi Lee

High-flux nanoporous single-layer graphene membranes are highly promising for energy-efficient gas separation. Herein, in the context of carbon capture, a remarkable enhancement in the CO(2)selectivity is demonstrated by uniquely masking nanoporous single- ...

WILEY-V C H VERLAG GMBH2020

Machine Learning-Guided Approach for Studying Solvation Environments

Sandip De, Yasemin Basdogan

Molecular-level understanding and characterization of solvation environments are often needed across chemistry, biology, and engineering. Toward practical modeling of local solvation effects of any solute in any solvent, we report a static and all-quantum ...

AMER CHEMICAL SOC2020

Nanoscale mechanism of UO2 formation through uranium reduction by magnetite

Rizlan Bernier-Latmani, Barbora Bártová, Zezhen Pan

Uranium (U) is a ubiquitous element in the Earth's crust at similar to 2 ppm. In anoxic environments, soluble hexavalent uranium (U(VI)) is reduced and immobilized. The underlying reduction mechanism is unknown but likely of critical importance to explain ...

2020

Large‐Range HS‐AFM Imaging of DNA Self‐Assembly through In Situ Data‐Driven Control

Alireza Karimi, Georg Fantner, Maartje Martina Cornelia Bastings, Adrian Pascal Nievergelt, Christoph Manuel Kammer, Eva Eugene Kurisinkal, Charlène Cécile Geneviève Brillard

Understanding hierarchical self-assembly of biological structures requires real time measurement of the self-assembly process over a broad range of length- and timescales. The success of high-speed atomic force microscopy (HS-AFM) in imaging small scale mo ...

2019

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Molecular engineering

Gigahertz Frame Rate Imaging of Charge-Injection Dynamics in a Molecular Light Source

Quantum vibronic effects on the electronic properties of solid and molecular carbon

Nanoparticle-Induced Disorder at Complex Liquid-Liquid Interfaces: Effects of Curvature and Compositional Synergy on Functional Surfaces

High-Resolution Transmission Electron Microscopy with Bright Microsecond Electron Pulses

On the Electronic and Optical Properties of Metal-Organic Frameworks: Case Study of MIL-125 and MIL-125-NH2

Synergistic CO2-Sieving from Polymer with Intrinsic Microporosity Masking Nanoporous Single-Layer Graphene

Machine Learning-Guided Approach for Studying Solvation Environments

Nanoscale mechanism of UO2 formation through uranium reduction by magnetite

Low-dimensional perovskite nanoplatelet synthesis using in situ photophysical monitoring to establish controlled growth

Large‐Range HS‐AFM Imaging of DNA Self‐Assembly through In Situ Data‐Driven Control

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Chattez avec Graph Search

Large‐Range HS‐AFM Imaging of DNA Self‐Assembly through In Situ Data‐Driven Control

Low-dimensional perovskite nanoplatelet synthesis using in situ photophysical monitoring to establish controlled growth

High-Resolution Transmission Electron Microscopy with Bright Microsecond Electron Pulses

Synergistic CO2-Sieving from Polymer with Intrinsic Microporosity Masking Nanoporous Single-Layer Graphene

Machine Learning-Guided Approach for Studying Solvation Environments

Nanoparticle-Induced Disorder at Complex Liquid-Liquid Interfaces: Effects of Curvature and Compositional Synergy on Functional Surfaces

Gigahertz Frame Rate Imaging of Charge-Injection Dynamics in a Molecular Light Source

Quantum vibronic effects on the electronic properties of solid and molecular carbon

Nanoscale mechanism of UO2 formation through uranium reduction by magnetite

On the Electronic and Optical Properties of Metal-Organic Frameworks: Case Study of MIL-125 and MIL-125-NH2