Publications
2021
Yiqi Xie, Georgios A. Tritsaris; Oscar Grånäs; Trevor D. Rhone. 2021. "Data-driven Studies of the Magnetic Anisotropy of Two-dimensional Magnetic Materials" The Journal of Physical Chemistry Letters, 12, 50, Pp. 12048. Publisher's VersionGeorgios A. Tritsaris, Stephen Carr, and Gabriel R. Schleder. 2021. "Computational Design of Moiré Assemblies Aided by Artificial Intelligence." Applied Physics Reviews 8, 3, Pp. 031401. Publisher's Version
2020
Jingzhen Li, Georgios A. Tritsaris, Xiuying Zhang, Bowen Shi, Chen Yang, Shiqi Liu, Jie Yang, Linqiang Xu, Jinbo Yang, Feng Pan, Efthimios Kaxiras, and Jing Lu. 2020. “Monolayer honeycomb borophene: A promising anode material with a record capacity for lithium-ion and sodium-ion batteries.” Journal of the Electrochemical Society, 167, 9, Pp. 090527. Publisher's VersionDaniel T. Larson, Stephen Carr, Georgios A. Tritsaris, and Efthimios Kaxiras. 2020. “Effects of Lithium Intercalation in Twisted Bilayer Graphene.” Physical Review B, 101, 7, Pp. 075407. Publisher's Version
Georgios A. Tritsaris, Stephen Carr, Ziyan Zhu, Yiqi Xie, Stephen B. Torrisi, Jing Tang, Marios Mattheakis, Daniel Larson, and Efthimios Kaxiras. 2020. “Electronic structure calculations of twisted multi-layer graphene superlattices.” 2D Materials, 7, 3, Pp. 035028. Publisher's Version
Georgios A. Tritsaris, Yiqi Xie, Alexander M. Rush, Stephen Carr, Marios Mattheakis, and Efthimios Kaxiras. 2020. “LAN: A Materials Notation for 2D Layered Assemblies.” Journal of Chemical Information and Modeling, 60, 7, Pp. 3457-3462. Publisher's Version
2019
Georgios A. Tritsaris, Mehmet Gokhan Sensoy, Sharmila N. Shirodkar, and Efthimios Kaxiras. 2019. “First-principles study of coupled effect of ripplocations and S-vacancies in MoS2.” Journal of Applied Physics, 126, Pp. 084303. Publisher's VersionRobert A. Hoyt, Matthew M. Montemore, Ioanna Fampiou, Wei Chen, Georgios A. Tritsaris, and Efthimios Kaxiras. 2019. “Machine Learning Prediction of H Adsorption Energies on Ag Alloys.” Journal of Chemical Information and Modeling, 59, 4, Pp. 1357–1365. Publisher's Version
2016
Georgios A. Tritsaris, Sharmila N. Shirodkar, Efthimios Kaxiras, Paul Cazeaux, Mitchell Luskin, Petr Plecháč, and Eric Cancès. 2016. “Perturbation theory for weakly coupled two-dimensional layers.” Journal of Materials Research, 31, 7, Pp. 959–966. Publisher's VersionRodrick Kuate Defo, Shiang Fang, Sharmila N. Shirodkar, Georgios A. Tritsaris, Athanasios Dimoulas, and Efthimios Kaxiras. 2016. “Strain dependence of band gaps and exciton energies in pure and mixed transition-metal dichalcogenides.” Physical Review B, 94, 15, Pp 155310. Publisher's Version
2015
Shiang Fang, Rodrick Kuate Defo, Sharmila N. Shirodkar, Simon Lieu, Georgios A. Tritsaris, and Efthimios Kaxiras. 2015. “Ab initio tight-binding Hamiltonian for transition metal dichalcogenides.” Physical Review B, 92, Pp. 205108. Publisher's VersionGrigory Kolesov, Dmitry Vinichenko, Georgios A. Tritsaris, Cynthia M. Friend, and Efthimios Kaxiras. 2015. “Anatomy of the Photochemical Reaction: Excited-State Dynamics Reveals the C–H Acidity Mechanism of Methoxy Photo-oxidation on Titania.” J. Phys. Chem. Lett., 6, 9, Pp. 1624–1627. Publisher's Version
Alireza Ostadhossein, Ekin D. Cubuk, Georgios A. Tritsaris, Efthimios Kaxiras, Sulin Zhang, and Adri C. T. van Duin. 2015. “Stress effects on the initial lithiation of crystalline silicon nanowires: reactive molecular dynamics simulations using ReaxFF.” Phys. Chem. Chem. Phys., 17, 5, Pp. 3832–3840. Publisher's Version
2014
Georgios A. Tritsaris, Dmitry Vinichenko, Grigory Kolesov, Cynthia M. Friend, and Efthimios Kaxiras. 2014. “Dynamics of the Photogenerated Hole at the Rutile TiO2(110)/Water Interface: A Nonadiabatic Simulation Study.” The Journal of Physical Chemistry C, 118, 47, Pp. 27393-27401. Publisher's VersionGeorgios A. Tritsaris, Brad D. Malone, and Efthimios Kaxiras. 2014. “Structural stability and electronic properties of low-index surfaces of SnS.” Journal of Applied Physics, 115, 17, Pp. 173702. Publisher's Version
2013
Georgios A. Tritsaris, Efthimios Kaxiras, Sheng Meng, and Enge Wang. 2013. “Adsorption and diffusion of lithium on layered silicon for Li-ion storage.” Nano Lett., 13, 5, Pp. 2258–2263. Publisher's VersionGeorgios A. Tritsaris, Brad D. Malone, and Efthimios Kaxiras. 2013. “Optoelectronic properties of single-layer, double-layer, and bulk tin sulfide: A theoretical study.” Journal of Applied Physics, 113, 23, Pp. 233507. Publisher's Version
2012
Jan Rossmeisl, Peter Ferrin, Georgios A. Tritsaris, Anand Udaykumar Nilekar, Shirlaine Koh, Sang Eun Bae, Stanko R. Brankovic, Peter Strasser, and Manos Mavrikakis. 2012. “Bifunctional anode catalysts for direct methanol fuel cells.” Energy & Environmental Science, 5, 8, Pp. 8335. Publisher's VersionGeorgios A. Tritsaris, Kejie Zhao, Onyekwelu U. Okeke, and Efthimios Kaxiras. 2012. “Diffusion of Lithium in Bulk Amorphous Silicon: A Theoretical Study.” Journal of physical chemistry. C, 116, 42, Pp. 22212–22216. Publisher's Version
Georgios A. Tritsaris and Jan Rossmeisl. 2012. “Methanol Oxidation on Model Elemental and Bimetallic Transition Metal Surfaces.” Journal of physical chemistry. C, 116, 22, Pp. 11980–11986. Publisher's Version
Georgios Tritsaris, Christos Mathioudakis, Pantelis Kelires, and Efthimios Kaxiras. 2012. “Optical and elastic properties of diamond-like carbon with metallic inclusions: A theoretical study.” Journal of Applied Physics, 112, Pp. 103503. Publisher's Version
Kejie Zhao, Georgios A. Tritsaris, Matt Pharr, Wei L. Wang, Onyekwelu Okeke, Zhigang Suo, Joost J. Vlassak, and Efthimios Kaxiras. 2012. “Reactive flow in silicon electrodes assisted by the insertion of lithium.” Nano Letters, 12, 8, Pp. 4397–4403. Publisher's Version
2011
Georgios A. Tritsaris, Jeff Greeley, Jan Rossmeisl, and Jens K. Nørskov. 2011. “Atomic-Scale Modeling of Particle Size Effects for the Oxygen Reduction Reaction on Pt.” Catalysis Letters, 141, 7, Pp. 909–913. Publisher's VersionGeorgios A. Tritsaris, Jens K. Nørskov, and Jan Rossmeisl. 2011. “Trends in oxygen reduction and methanol activation on transition metal chalcogenides.” Electrochimica acta, 56, 27, Pp. 9783–9788. Publisher's Version
2010
Jan Rossmeisl, Vladimir Tripković, George A. Tritsaris, and Federico Calle-Vallejo. 2010. “Electro-Catalysis of Oxygen Reduction Reaction.” ECS Transactions, 33, 1, Pp. 43–50. Publisher's VersionJ. Enkovaara, C. Rostgaard, J. J. Mortensen, J. Chen, M. Dułak, L. Ferrighi, J. Gavnholt, C. Glinsvad, V. Haikola, H. A. Hansen, H. H. Kristoffersen, M. Kuisma, A. H. Larsen, L. Lehtovaara, M. Ljungberg, O. Lopez-Acevedo, P. G. Moses, J. Ojanen, T. Olsen, V. Petzold, N. A. Romero, J. Stausholm-Møller, M. Strange, G. A. Tritsaris, M. Vanin, M. Walter, B. Hammer, H. Häkkinen, G. K. H. Madsen, R. M. Nieminen, J. K. Nørskov, M. Puska, T. T. Rantala, J. Schiøtz, K. S. Thygesen, and K. W. Jacobsen. 2010. “Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method.” J. Phys.: Condens. Matter, 22, 25, Pp. 253202. Publisher's Version
Georgios A. Tritsaris and Alexandros G. Vanakaras. 2010. “Two-dimensional ordered porous patterns by molecular design.” Langmuir, 26, 11, Pp. 7808–7812. Publisher's Version
ResearchGate profile can be accessed here.