Adsorption and Diffusion of Lithium on Layered Silicon for Li-Ion Storage von Tritsaris, Georgios A, Kaxiras, Efthimios, Meng, Sheng, Wang, Enge

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Ab initio tight-binding Hamiltonian for transition metal dichalcogenides von Fang, Shiang, Kuate Defo, Rodrick, Shirodkar, Sharmila N., Lieu, Simon, Tritsaris, Georgios A., Kaxiras, Efthimios

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Diffusion of Lithium in Bulk Amorphous Silicon: A Theoretical Study von Tritsaris, Georgios A, Zhao, Kejie, Okeke, Onyekwelu U, Kaxiras, Efthimios

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Data-Driven Studies of the Magnetic Anisotropy of Two-Dimensional Magnetic Materials von Xie, Yiqi, Tritsaris, Georgios A, Grånäs, Oscar, Rhone, Trevor David

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Reactive Flow in Silicon Electrodes Assisted by the Insertion of Lithium von Zhao, Kejie, Tritsaris, Georgios A, Pharr, Matt, Wang, Wei L, Okeke, Onyekwelu, Suo, Zhigang, Vlassak, Joost J, Kaxiras, Efthimios

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Anatomy of the Photochemical Reaction: Excited-State Dynamics Reveals the C–H Acidity Mechanism of Methoxy Photo-oxidation on Titania von Kolesov, Grigory, Vinichenko, Dmitry, Tritsaris, Georgios A, Friend, Cynthia M, Kaxiras, Efthimios

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Machine Learning Prediction of H Adsorption Energies on Ag Alloys von Hoyt, Robert A, Montemore, Matthew M, Fampiou, Ioanna, Chen, Wei, Tritsaris, Georgios, Kaxiras, Efthimios

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LAN: A Materials Notation for Two-Dimensional Layered Assemblies von Tritsaris, Georgios A, Xie, Yiqi, Rush, Alexander M, Carr, Stephen, Mattheakis, Marios, Kaxiras, Efthimios

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Optoelectronic properties of single-layer, double-layer, and bulk tin sulfide: A theoretical study von Tritsaris, Georgios A., Malone, Brad D., Kaxiras, Efthimios

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Bifunctional anode catalysts for direct methanol fuel cells von Rossmeisl, Jan, Ferrin, Peter, Tritsaris, Georgios A, Nilekar, Anand Udaykumar, Koh, Shirlaine, Bae, Sang Eun, Brankovic, Stanko R, Strasser, Peter, Mavrikakis, Manos

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Strain dependence of band gaps and exciton energies in pure and mixed transition-metal dichalcogenides von Defo, Rodrick Kuate, Fang, Shiang, Shirodkar, Sharmila N., Tritsaris, Georgios A., Dimoulas, Athanasios, Kaxiras, Efthimios

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Stress effects on the initial lithiation of crystalline silicon nanowires: reactive molecular dynamics simulations using ReaxFF von Ostadhossein, Alireza, Cubuk, Ekin D, Tritsaris, Georgios A, Kaxiras, Efthimios, Zhang, Sulin, van Duin, Adri C. T

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Dynamics of the Photogenerated Hole at the Rutile TiO2(110)/Water Interface: A Nonadiabatic Simulation Study von Tritsaris, Georgios A, Vinichenko, Dmitry, Kolesov, Grigory, Friend, Cynthia M, Kaxiras, Efthimios

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Effects of lithium intercalation in twisted bilayer graphene von Larson, Daniel T., Carr, Stephen, Tritsaris, Georgios A., Kaxiras, Efthimios

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Electronic structure calculations of twisted multi-layer graphene superlattices von Tritsaris, Georgios A, Carr, Stephen, Zhu, Ziyan, Xie, Yiqi, Torrisi, Steven B, Tang, Jing, Mattheakis, Marios, Larson, Daniel T, Kaxiras, Efthimios

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Structural stability and electronic properties of low-index surfaces of SnS von Tritsaris, Georgios A., Malone, Brad D., Kaxiras, Efthimios

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Trends in oxygen reduction and methanol activation on transition metal chalcogenides von Tritsaris, Georgios A., Nørskov, Jens K., Rossmeisl, Jan

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Optical and elastic properties of diamond-like carbon with metallic inclusions: A theoretical study von Tritsaris, Georgios A., Mathioudakis, Christos, Kelires, Pantelis C., Kaxiras, Efthimios

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Perturbation theory for weakly coupled two-dimensional layers von Tritsaris, Georgios A., Shirodkar, Sharmila N., Kaxiras, Efthimios, Cazeaux, Paul, Luskin, Mitchell, Plecháč, Petr, Cancès, Eric

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Correction to Adsorption and Diffusion of Lithium on Layered Silicon for Li-Ion Storage von Tritsaris, Georgios A, Kaxiras, Efthimios, Meng, Sheng, Wang, Enge

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