סמינר באלקטרוכימיה 13.04.2011

[Tal Yoetz]

---------- Forwarded message ----------
From: Tania Ripenbein <tani...@post.tau.ac.il>
Date: 2011/4/7
Subject: סמינר באלקטרוכימיה 13.04.2011
To: Yael Hadad <Ya...@tauex.tau.ac.il>

 

 

---

Dr. Oded Hod

Title:
-----

"Stacking and registry effects in layered materials: the case of hexagonal
boron nitride and beyond"

Abstract:
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The interlayer sliding energy landscape of hexagonal boron nitride (h-BN) is
investigated via a van der Waals corrected density functional theory
approach. It is found that the main role of the van der Waals forces is to
"anchor" the layers at a fixed distance, whereas the electrostatic forces
set the optimal stacking mode and Pauli repulsions dictate the interlayer
sliding energy. A nearly free-sliding path is identified, along which bandgap modulations of
~0.6 eV are obtained. A simple geometrical model that quantifies the
registry matching between the layers and captures the essence of the
corrugated h-BN interlayer energy landscape is proposed. The simplicity of
this phenomenological model opens the way to the modeling of complex layered
structures, such as multi-walled carbon and boron nitride nanotubes.

 

----- Original Message -----

From: Tania Ripenbein

To: ode...@tau.ac.il

Cc: go...@post.tau.ac.il ; pe...@post.tau.ac.il

Sent: Monday, April 04, 2011 12:11 PM

Subject: סמינר באלקטרוכימיה 13.04.2011

 

ד"ר הוד שלום!

להזכירך הינך מוזמן להעביר הרצאה בקבוצת אלקטרוכימיה בתאריך 13.04.2011בנושא

Stacking and Registry Effects in Layered Materials: The Case of Hexagonal Boron Nitride

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בברכה,

טניה ריפנבין

 

 

 

Tania Ripenbein, PhD

School of Chemistry

Tel-Aviv University

Ph: +972-3-6406909

Fax: +972-3-6414126

tani...@post.tau.ac.il