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6 results in Keywords: Surface reconstruction

Theoretical and Computational Chemistry

Machine-Learning-Driven Exploration of Surface Reconstructions of Reduced Rutile TiO2

Yonghyuk Lee, Xiaobo Chen, Sabrina Gericke, Meng Li, Dmitri Zakharov, Ashley Head, Judith Yang, Anastassia Alexandrova

Version 1 posted 20 December 2024

0

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Dynamic surface reconstruction of perovskite oxides in oxygen evolution reaction and its impacts on catalysis: a critical review

Zhonghui Hu, Qian Yan, Yuanqing Wang

Version 1 posted 27 July 2023

360

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Theoretical and Computational Chemistry

Exploring Inhomogeneous Surfaces: Evolutionary Exploration of Ti-rich SrTiO3(110) Surface Reconstructions via Active Learning

Ralf Wanzenböck, Esther Heid, Michele Riva, Giada Franceschi, Alexander M. Imre, Jesús Carrete, Ulrike Diebold, Georg K. H. Madsen

Version 3 posted 13 September 2024

445

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Enhanced metal exsolution at the non-polar (001) surfaces of multi-faceted epitaxial thin films

Moritz Weber, Moritz Kindelmann, Egbert Wessel, Alexandros Sarantopoulos, Norbert H. Menzler, Regina Dittmann, Rainer Waser, Olivier Guillon, Christian Lenser, Felix Gunkel

Version 1 posted 13 September 2022

176

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Controlled Surface Reconstruction on Ferromagnetic Oxides: Spin Pinning Effect to the Oxyhydroxide Layer and Its Enhanced Oxygen Evolution Activity

Tianze Wu, Xiao Ren, Yuanmiao Sun, Shengnan Sun, Guoyu Xian, Günther G. Scherer, Adrian C. Fisher, Daniel Mandler, Joel Ager, Alexis Grimaud, Junling Wang, Chengmin Sheng, Haitao Yang, Jose Gracia, Hong-jun Gao, Zhichuan J. Xu

Version 1 posted 18 March 2021

638

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Theoretical and Computational Chemistry

GOCIA: grand canonical Global Optimizer for Clusters, Interfaces, and Adsorbates

Zisheng Zhang, Winston Gee, Robert H. Lavroff, Anastassia N. Alexandrova

Version 2 posted 09 October 2024

433

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