Exploring thermal expansion of carbon-based nanosheets by machine-learning interatomic potentials

Ultrahigh thermal conductivity and strength in direct-gap semiconducting graphene-like BC6N: A first-principles and classical investigation

(2021) Bohayra Mortazavi   CARBON

Computation of the Thermal Expansion Coefficient of Graphene with Gaussian Approximation Potentials

(2021) İlker Demiroğlu et al.   Journal of Physical Chemistry C

Substrate and contamination effects on the thermal expansion coefficient of suspended graphene measured by electron diffraction

(2020) E. Kano et al.   CARBON

Large-scale synthesis of crystalline g-C3N4 nanosheets and high-temperature H2 sieving from assembled films

(2020) Luis Francisco Villalobos et al.   Science Advances

Thermal conductivity of graphene polymorphs and compounds: From C3N to graphdiyne lattices

(2020) S. Milad Hatam-Lee et al.   CARBON

Exploring phononic properties of two-dimensional materials using machine learning interatomic potentials

(2020) Bohayra Mortazavi et al.   Applied Materials Today

C3N5: A Low Bandgap Semiconductor Containing an Azo-Linked Carbon Nitride Framework for Photocatalytic, Photovoltaic and Adsorbent Applications

(2019) Pawan Kumar et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Accelerating high-throughput searches for new alloys with active learning of interatomic potentials

(2018) Konstantin Gubaev et al.   COMPUTATIONAL MATERIALS SCIENCE

A novel approach to calculate thermal expansion of graphene: Molecular dynamics study

(2017) Hamid Ghasemi et al.   European Physical Journal Plus

Temperature-dependent Raman investigation on suspended graphene: Contribution from thermal expansion coefficient mismatch between graphene and substrate

(2016) Shibing Tian et al.   CARBON

Moment Tensor Potentials: A Class of Systematically Improvable Interatomic Potentials

(2016) Alexander V. Shapeev   MULTISCALE MODELING & SIMULATION

Two-dimensional polyaniline (C3N) from carbonized organic single crystals in solid state

(2016) Javeed Mahmood et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Phagraphene: A Low-Energy Graphene Allotrope Composed of 5–6–7 Carbon Rings with Distorted Dirac Cones

(2015) Zhenhai Wang et al.   NANO LETTERS

Interplay between Raman shift and thermal expansion in graphene: Temperature-dependent measurements and analysis of substrate corrections

(2015) S. Linas et al.   PHYSICAL REVIEW B

First principles phonon calculations in materials science

(2015) Atsushi Togo et al.   SCRIPTA MATERIALIA

Nitrogenated holey two-dimensional structures

(2015) Javeed Mahmood et al.   Nature Communications

Negative Thermal Expansion Coefficient of Graphene Measured by Raman Spectroscopy

(2011) Duhee Yoon et al.   NANO LETTERS