Study of separate stages of In3+ extraction using quantum chemical modeling method: an initiation stage by P. P. Kochetkov, V. V. Yegorova, Yu. M. Glubokov, A. V. Krylov

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Mechanism of the Water-Gas Shift (WGS) reaction on the MoO3(010) surface: A Car–Parrinello Molecular Dynamics study by Diego Julian Rodriguez Patarroyo, Julian Andres Salamanca Bernal, Marco Antonio Ramirez Ramos

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Mechanochemical control of graphene etching along zigzag and armchair edge directions by Yilong Jiang, Chuan Tang, Chao Chen, Yangqin Liu, Yang Wang, Seong H. Kim, Junhui Sun, Linmao Qian, Lei Chen

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p-CuGaO2/β-Ga2O3 interfaces: A high-throughput approach for interface prediction and generation for power device applications by Chowdam Venkata Prasad, Jang Hyeok Park, Qui Thanh Hoai Ta, Kyong Jae Kim, Ho Jung Jeon, Muzaffar Ali Mir, Mohsin Raza, Nguyen Ngoc Tri, Honggyun Kim, Madani Labed, You Seung Rim

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Probing DCV5T-Me for Organic Photovoltaics: A Comprehensive DFT and NEGF Study by Souraya Goumri-Said, Rachida Rahmani, Abdelkader Chouaih, Mohammed Benali Kanoun

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Density functional theory investigation of CuO/ZnO/CuO heterostructure nanotubes for CO sensing applications by Mahdi Molaei Zarasvand, Mohsen Bagheritabar, Melika Molaei Zarasvand, Milad Yousefizad, Amir Mohammad Shahriyari, Erfan Karimmirza, Zahra Zalnezhad, Negin Manavizadeh, Ebrahim Nadimi

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Revolutionizing clean energy labs: Robotic imitation learning for efficient fabrication AI-powered electrical units assembly platform by Xi Xu, Yijun Gu, Tianyi Zhang, Jiwen Yu, Stephen Skinner

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Unlocking efficient RhB degradation by silver nanowires and porous graphene doped MoTe2: Combined experimental and DFT insights by Afsah Mobeen Haider, Muhammad Ikram, Anwar Ul-Hameed, Ghafar Ali, Souraya Goumri-Said, Mohammed Benali Kanoun

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