Publications related to Binding energy

Intrinsic edge excitons in two-dimensional MoS2

Nicola Marzari, Marco Gibertini, Andrea Ferretti

Using accurate first-principles calculations based on many-body perturbation theory, we predict that two-dimensional MoS2 hosts edge excitons with universal character, intrinsic to the existence of edges and lying well below the onset of bulk features. The ...

AMER PHYSICAL SOC2020

Balancing Density Functional Theory Interaction Energies in Charged Dimers Precursors to Organic Semiconductors

Alberto Fabrizio, Riccardo Petraglia

The pursuit of an increasingly accurate description of intermolecular interactions within the framework of Kohn-Sham density functional theory (KS-DFT) has motivated the construction of numerous benchmark databases over the past two decades. By far, the la ...

AMER CHEMICAL SOC2020

Understanding How Ligand Functionalization Influences CO2 and N-2 Adsorption in a Sodalite Metal-Organic Framework

Michele Ceriotti, Wendy Lee Queen, Pascal Alexander Schouwink, Mehrdad Asgari, Olga Trukhina, Ilia Kochetygov, Rocio Semino Barbaresi

In this work, a detailed study is conducted to understand how ligand substitution influences the CO, and N-2 adsorption properties of two highly crystalline sodalite metal-organic frameworks (MOFs) known as Cu-BTT (BTT-3 = 1,3,5-benzenetristetrazolate) and ...

AMER CHEMICAL SOC2020

Atomic-scale defects in the two-dimensional ferromagnet CrI3 from first principles

Michele Pizzochero

The family of atomically thin magnets holds great promise for a number of prospective applications in magneto-optoelectronics, with CrI3 arguably being its most prototypical member. However, the formation of defects in this system remains unexplored to dat ...

IOP PUBLISHING LTD2020

Insight into the electronic structure of semiconducting epsilon-GaSe and epsilon-InSe

Marco Grioni, Helmuth Berger, Alberto Crepaldi, Daniela Pacilè

Metal monochalcogenides (MX) have recently been rediscovered as two-dimensional materials with electronic properties highly dependent on the number of layers. Although some intriguing properties appear in the few-layer regime, the carrier mobility of MX co ...

AMER PHYSICAL SOC2020

Small Electron Polarons in CsPbBr3: Competition between Electron Localization and Delocalization

Alfredo Pasquarello, Stefano Falletta, Julia Anna Wiktor

We study the nature of excess electrons in CsPbBr3 and identify several single and double polaronic states. We emphasize the importance of proper inclusion of the self-interaction corrections for the stability of small electron polarons in this material. W ...

AMER CHEMICAL SOC2020

Generation and observation of fast deuterium ions and fusion-born alpha particles in JET D-He-3 plasmas with the 3-ion radio-frequency heating scenario

Henri Weisen, Javier García Hernández, Alberto Mariani, Samuele Mazzi

Dedicated experiments to generate energetic D ions and D-(3) He fusion-born alpha particles were performed at the Joint European Torus (JET) with the ITER-like wall (ILW). Using the 3-ion D-(D-NBI)-(3) He radio frequency (RF) heating scenario, deuterium io ...

IOP PUBLISHING LTD2020

Transient domains of ordered water induced by divalent ions lead to lipid membrane curvature fluctuations

Sylvie Roke, Orly Bagunu Tarun, Halil Ibrahim Okur

Cations influence the electrostatic, chemical and mechanical properties of lipid bilayers. Here, label-free second harmonic microscopy shows that cation-induced transient ordering of water also plays a role in driving membrane curvature fluctuations, linki ...

NATURE PUBLISHING GROUP2020

Chat with Graph Search

Ask any question about EPFL courses, lectures, exercises, research, news, etc. or try the example questions below.

DISCLAIMER: The Graph Chatbot is not programmed to provide explicit or categorical answers to your questions. Rather, it transforms your questions into API requests that are distributed across the various IT services officially administered by EPFL. Its purpose is solely to collect and recommend relevant references to content that you can explore to help you answer your questions.

Binding energy

Charge transfer dynamics in Ar+ + CO

Intrinsic edge excitons in two-dimensional MoS2

Balancing Density Functional Theory Interaction Energies in Charged Dimers Precursors to Organic Semiconductors

Investigation of the low-energy stereodynamics in the Ne(3P2) + N2, CO reactions

Understanding How Ligand Functionalization Influences CO2 and N-2 Adsorption in a Sodalite Metal-Organic Framework

Atomic-scale defects in the two-dimensional ferromagnet CrI3 from first principles

Insight into the electronic structure of semiconducting epsilon-GaSe and epsilon-InSe

Small Electron Polarons in CsPbBr3: Competition between Electron Localization and Delocalization

Generation and observation of fast deuterium ions and fusion-born alpha particles in JET D-He-3 plasmas with the 3-ion radio-frequency heating scenario

Transient domains of ordered water induced by divalent ions lead to lipid membrane curvature fluctuations

Graph Chatbot

Chat with Graph Search

Understanding How Ligand Functionalization Influences CO2 and N-2 Adsorption in a Sodalite Metal-Organic Framework

Charge transfer dynamics in Ar+ + CO

Investigation of the low-energy stereodynamics in the Ne(3P2) + N2, CO reactions

Small Electron Polarons in CsPbBr3: Competition between Electron Localization and Delocalization

Generation and observation of fast deuterium ions and fusion-born alpha particles in JET D-He-3 plasmas with the 3-ion radio-frequency heating scenario

Intrinsic edge excitons in two-dimensional MoS2

Insight into the electronic structure of semiconducting epsilon-GaSe and epsilon-InSe

Atomic-scale defects in the two-dimensional ferromagnet CrI3 from first principles

Transient domains of ordered water induced by divalent ions lead to lipid membrane curvature fluctuations

Balancing Density Functional Theory Interaction Energies in Charged Dimers Precursors to Organic Semiconductors