Publications associées à Géométrie moléculaire plane trigonale

Mark Pauly, Florin Isvoranu, Tian Chen, Yingying Ren, Samuel Jean Bernard Poincloux, Christopher Brandt

Basket weaving is a traditional craft for creating curved surfaces as an interwoven array of thin, flexible, and initially straight ribbons. The three-dimensional shape of a woven structure emerges through a complex interplay of the elastic bending behavio ...

ASSOC COMPUTING MACHINERY2021

Enhanced Intersystem Crossing and Transient Electron Spin Polarization in a Photoexcited Pentacene–Trityl Radical

David Lyndon Emsley, Jacques-Edouard Moser, Aaron James Rossini, Dominik Józef Kubicki, Moreno Lelli, Etienne Christophe Socie, Gabriele Stevanato, Claudia Esther Avalos

Identifying and characterizing systems that generate well-defined states with large electron spin polarization is of high interest for applications in molecular spintronics, high-energy physics, and magnetic resonance spectroscopy. The generation of electr ...

2020

Boosting the power conversion efficiency of perovskite solar cells to 17.7% with an indolo[3,2-b]carbazole dopant-free hole transporting material by improving its spatial configuration

Xiaoqing Jiang, Ulf Anders Hagfeldt

The development of facilely synthesized, dopant-free hole-transporting materials (HTMs) with high efficiency is of great significance for the potential application of perovskite solar cells (PSCs). Herein, we report two novel indolo[3,2-b]carbazole (ICZ) b ...

ROYAL SOC CHEMISTRY2019

A Learned Shape-Adaptive Subsurface Scattering Model

Wenzel Alban Jakob, Delio Aleardo Vicini

Subsurface scattering, in which light refracts into a translucent material to interact with its interior, is the dominant mode of light transport in many types of organic materials. Accounting for this phenomenon is thus crucial for visual realism, but exp ...

ASSOC COMPUTING MACHINERY2019

Controlling Ferromagnetic Ground States and Solitons in Thin Films and Nanowires Built from Iron Phthalocyanine Chains

Gabriel Aeppli

Iron phthalocyanine (FePc) is a molecular semiconductor whose building blocks are 1D ferromagnetic chains. It is shown that its optical and magnetic properties are controlled by the growth strategy, obtaining extremely high coercivities of over 1 T and mod ...

WILEY-V C H VERLAG GMBH2019

The influence of external electric fields on charge reorganization energy in organic semiconductors

Hongguang Liu, Weicong Huang

Charge reorganization energies (k) of inter-ring carbon-carbon (IRCC) bond connected conjugated polycyclics are shown to exhibit an electric-field-driven anisotropic character. An external electric field parallel to the IRCC linker(s) reduces k while the f ...

ROYAL SOC CHEMISTRY2019

Methoxydiphenylamine-substituted fluorene derivatives as hole transporting materials: role of molecular interaction on device photovoltaic performance

Mohammad Khaja Nazeeruddin, Michael Saliba, Sanghyun Paek

The molecular structure of the hole transporting material (HTM) play an important role in hole extraction in a perovskite solar cells. It has a significant influence on the molecular planarity, energy level, and charge transport properties. Understanding t ...

Nature Publishing Group2017

Probing Defects and Correlations in the Hydrogen-Bond Network of ab Initio Water

Michele Ceriotti, Piero Gasparotto

The hydrogen-bond network of water is characterized by the presence of coordination defects relative to the ideal tetrahedral network of ice, whose fluctuations determine the static and time-dependent properties of the liquid. Because of topological constr ...

Amer Chemical Soc2016

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Géométrie moléculaire plane trigonale

Mechanistic Insight into Supramolecular Polymerization in Water Tunable by Molecular Geometry

3D Weaving with Curved Ribbons

Enhanced Intersystem Crossing and Transient Electron Spin Polarization in a Photoexcited Pentacene–Trityl Radical

Boosting the power conversion efficiency of perovskite solar cells to 17.7% with an indolo[3,2-b]carbazole dopant-free hole transporting material by improving its spatial configuration

A Learned Shape-Adaptive Subsurface Scattering Model

Controlling Ferromagnetic Ground States and Solitons in Thin Films and Nanowires Built from Iron Phthalocyanine Chains

Bond-selective and surface-site-specific dissociation of methane on platinum

The influence of external electric fields on charge reorganization energy in organic semiconductors

Methoxydiphenylamine-substituted fluorene derivatives as hole transporting materials: role of molecular interaction on device photovoltaic performance

Probing Defects and Correlations in the Hydrogen-Bond Network of ab Initio Water

Graph Chatbot

Chattez avec Graph Search

Enhanced Intersystem Crossing and Transient Electron Spin Polarization in a Photoexcited Pentacene–Trityl Radical

Methoxydiphenylamine-substituted fluorene derivatives as hole transporting materials: role of molecular interaction on device photovoltaic performance

Controlling Ferromagnetic Ground States and Solitons in Thin Films and Nanowires Built from Iron Phthalocyanine Chains

A Learned Shape-Adaptive Subsurface Scattering Model

3D Weaving with Curved Ribbons

The influence of external electric fields on charge reorganization energy in organic semiconductors

Boosting the power conversion efficiency of perovskite solar cells to 17.7% with an indolo[3,2-b]carbazole dopant-free hole transporting material by improving its spatial configuration

Mechanistic Insight into Supramolecular Polymerization in Water Tunable by Molecular Geometry

Bond-selective and surface-site-specific dissociation of methane on platinum

Probing Defects and Correlations in the Hydrogen-Bond Network of ab Initio Water