Publications

2020

Georgios A. Tritsaris, Stephen Carr, Gabriel R. Schleder, Pavlos Protopapas, and Efthimios Kaxiras. 2020. "Towards the Computational Design of Moiré Assemblies." arXiv:2011.04795

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 Version

Daniel 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 Version

Robert 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 Version

Rodrick 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 Version

Grigory 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 Version

Georgios 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 Version

Georgios 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 Version

Georgios 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 Version

Georgios 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 Version

J. 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.