Masoumeh Mahmoudi Gahrouei, Nikiphoros Vlastos, Oreoluwa Adesina, and Laura de Sousa Oliveira, "Thermal transport in two-dimensional MOFs for thermoelectric applications," (Coming soon)
Kira Coe-Sessions, Alathea E. Davies, Michael J. Wenzel, Bhausaheb Kashinath Dhokale, Masoumeh Mahmoudi Gahrouei, Nikiphoros Vlastos, Jordan Klaassen, Bruce A. Parkinson, Laura de Sousa Oliveira and John O. Hoberg, "Functionalized graphene-like materials via a one pot reaction enabling pore size and functional groups modification," (Coming soon)
Bhausaheb Dhokale, Kira Coe-Sessions, Michael J. Wenzel, Alathea E. Davies, Taylor Kelsey, Jonathan A. Brant, Laura de Sousa Oliveira, Bruce A. Parkinson, and John O. Hoberg, "Engineering screw dislocations in Covalent Organic Frameworks," (Coming soon)
Michael J. Wenzel, Alathea Davies, Bruce A. Parkinson, Laura de Sousa Oliveira, John O. Hoberg, “Predicting unexpected side reactions within a covalent organic framework using computational methods,” (Coming soon)
Masoumeh Mahmoudi Gahrouei, Nikiphoros Vlastos, Ransell D'Souza, Emmanuel C. Odogwu, Laura de Sousa Oliveira, “Benchmark investigation of SCC-DFTB against standard and hybrid DFT to model electronic properties in two-dimensional MOFs for thermoelectric applications,” Journal of Chemical Theory and Computation (2024) [Link to journal]
P. Alex Greaney, S. Aria Hosseini, Laura de Sousa Oliveira, Alathea Davies, Neophytos Neophytou, "Super-Suppression of Long-Wavelength Phonons in Constricted Nanoporous Geometries," Nanomaterials (2024), 14(9): 795 [Link to journal][Pre-print TBD]
Alathea Davies, Michael J. Wenzel, Cailin L. Brugger, Jordan Johnson, Bruce A. Parkinson, John O. Hoberg, Laura de Sousa Oliveira, “Computationally directed manipulation of cross-linked covalent organic frameworks for membrane applications,” Physical Chemistry Chemical Physics (2023) [Link to journal]
S. Aria Hosseini, Alathea Davies, Ian Dickey, Neophytos Neophytou, P. Alex Greaney, Laura de Sousa Oliveira, “Super-Suppression of Long Phonon Mean-Free-Paths in Nano-Engineered Si due to Heat Current Anticorrelations,” Materials Today Physics (2022) [Link to journal][Pre-print]
Valerie Kuehl, Michael Wenzel, Bruce Parkinson, Laura de Sousa Oliveira, John Hoberg, “Polyimide-Linked Covalent Organic Frameworks: Pitfalls (and Successes) in Forming Ordered Materials,” Journal of Materials Chemistry A (2021) [Link to journal]
Laura de Sousa Oliveira, Aria Hosseini, Alex Greaney, Neophytos Neophytou, "Heat current anticorrelation effects leading to thermal conductivity reduction in nanoporous Si," Physical Review B, 102 (2020), 205405 [Link to journal][Pre-print]
Neophytou Neophytos, Vassilios Vargiamidis, Samuel Foster, Patrizio Graziosi, Laura de Sousa Oliveira, Dhritiman Chakraborty, Zhen Li, Mischa Thesberg, Hans Kosina, Nick Bennett, Giovanni Pennelli, Dario Narducci, "Hierarchically nanostructured thermoelectric materials: challenges and opportunities for improved power factors," The European Physical Journal B 93, no. 11 (2020): 1-24 [Open access]
Dhritiman Chakraborty, Hossein Karamitaheri, Laura de Sousa Oliveira, Neophytos Neophytou, “Effect of wave versus particle phonon nature in thermal transport through nanostructures," Computational Materials Science, 180 (2020), 109712 [Link to journal][Pre-print]
Laura de Sousa Oliveira, Vassillios Vargiamidis, and Neophytos Neophytou, “Modelling thermoelectric performance in nanoporous nanocrystalline silicon," EEE Transactions on Nanotechnology, vol. 18 (2019):896-903 [Link to journal][Pre-print]
Laura de Sousa Oliveira, and Neophytos Neophytou, “Large-scale molecular dynamics investigation of geometrical features in nanoporous Si," Physical Review B 100.3 (2019): 035409 [Link to journal][Pre-print]
Dhritiman Chakraborty, Laura de Sousa Oliveira, and Neophytos Neophytou, “Enhanced phonon boundary scattering at high temperatures in hierarchically disordered nanostructures," Journal of Electronic Materials (2019): 1-8 [Open access]
Laura de Sousa Oliveira, Vassillios Vargiamidis, and Neophytos Neophytou, “Transport simulations in hierarchically disordered nanostructures for thermoelectric material design," 2018 IEEE 13th Nanotechnology Materials and Devices Conference (NMDC) (2018): 1-4 [Link to journal][Pre-print]
Neophytos Neophytou, Samuel Foster, Vassillios Vargiamidis, Dhritiman Chakraborty, Laura Oliveira, Chathu Kumarasinghe, and Misha Thesberg, “Simulation studies of nanostructured thermoelectric materials," 2018 IEEE 13th Nanotechnology Materials and Devices Conference (NMDC) (2018): 1-4 [Link to journal][Pre-print]
Jackson Harter, Laura de Sousa Oliveira, P. Alex Greaney, and Todd Palmer, “Deterministic Phonon Transport Predictions of Thermal Conductivity in Uranium Dioxide With Xenon Impurities," Journal of Heat Transfer 140.5 (2018): 051301 [Open access]
Paul Lou, Laura de Sousa Oliveira, Chi Tang, Javier Garay, Alex Greaney, and Sandeep Kumar, “Spin phonon interactions and magneto-thermal transport behavior in p-Si," Solid State Communications 283 (2018): 37-42 [Link to journal][Pre-print]
Laura de Sousa Oliveira, and P. Alex Greaney, “Method to manage integration error in the Green- Kubo method,” Physical Review E 95.2 (2017): 023308 [Link to journal][Pre-print]
Laura de Sousa Oliveira, and P. Alex Greaney, “Thermal resistance from irradiation defects in graphite,” Computational Materials Science, 103 (2015): 68-76 [Link to journal][Pre-print]
Laura de Sousa Oliveira, and P. Alex Greaney; “Mapping thermal resistance around vacancy defects in graphite," MRS Online Proceedings Library Archive 1543 (2013): 65-70 [Link to journal][Pre-print]
