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The Journal of Physical Chemistry Letters|August 18, 2015
Phosphorene as a Superior Gas Sensor: Selective Adsorption and Distinct I-V ResponseLiangzhi Kou, Thomas Frauenheim, Changfeng ChenThe Journal of Physical Chemistry Letters|August 19, 2015
Nanoscale Multilayer Transition-Metal Dichalcogenide Heterostructures: Band Gap Modulation by Interfacial Strain and Spontaneous PolarizationLiangzhi Kou, Thomas Frauenheim, Changfeng ChenThe Journal of Physical Chemistry Letters|July 19, 2022
Role of External Stimuli in Engineering Magnetic Phases and Real-Time Spin Dynamics of Co/Mn OxidesArkamita Bandyopadhyay, Shuo Li, Thomas FrauenheimPhysical Chemistry Chemical Physics : PCCP|September 15, 2021
First-principles prediction of infrared phonon and dielectric function in biaxial hyperbolic van der Waals crystal α-MoO<sub>3</sub>Zhen Tong, Traian Dumitrică, Thomas FrauenheimThe Journal of Physical Chemistry Letters|September 5, 2023
Intrinsically Low Thermal Conductivity in the Most Lithium-Rich Binary Stannide Crystalline Li<sub>5</sub>SnZhen Tong, Traian Dumitrică, Thomas FrauenheimNano Letters|August 20, 2010
Gate-controlled donor activation in silicon nanowiresBinghai Yan, Thomas Frauenheim, Adám GaliAdvanced Science (Weinheim, Baden-Wurttemberg, Germany)|September 7, 2022
Carrier Multiplication in Transition Metal Dichalcogenides Beyond Threshold LimitYuxiang Liu, Thomas Frauenheim, ChiYung YamJournal of Chemical Theory and Computation|November 26, 2015
Automated Repulsive Parametrization for the DFTB MethodZoltán Bodrog, Bálint Aradi, Thomas FrauenheimPhysical Review Letters|October 6, 2000
Observation of "Stick" and "Handle" intermediates along the fullerene roadShvartsburg, Hudgins, Dugourd, et al.The Journal of Physical Chemistry. A|June 15, 2007
DFTB+, a sparse matrix-based implementation of the DFTB methodB Aradi, B Hourahine, Th FrauenheimPageof 26