Our third paper of 2017 “Anomalous strain effect on the thermal conductivity of borophene: a reactive molecular dynamics study” has just been accepted for publication in Physica E: Low-dimensional systems and nanostructures. Borophene, an atomically thin, corrugated, crystalline two-dimensional boron sheet,…

May has been an exciting month for the transport in nanostructures  group. Doctorate student Isaac de Macedo Felix has passed the written qualifying exam on his first try. Congratulations to him! We also welcome a new group member: José Roberto…

Our second paper of 2017 “Thermal conductivity decomposition in two-dimensional materials: Application to graphene” has just been accepted for publication in Physical Review B. In this work we propose a decomposition of the microscopic heat current in atomistic molecular dynamics…

Our first paper of 2017 “Atomic Adsorption on Nitrogenated Holey Graphene” has just been accepted for publication in The Journal of Physical Chemistry C. In this work we employ first principles calculations and a hybrid Quantum Mechanics:Molecular Mechanics method (ONIOM)…