Grain Boundary Sliding and Amorphization are Responsible for the Reverse Hall-Petch Relation in Superhard Nanocrystalline Boron Carbide von Guo, Dezhou, Song, Shuangxi, Luo, Ruichun, Goddard, William A, Chen, Mingwei, Reddy, Kolan Madhav, An, Qi

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Research on the life-limiting sputtering mechanism of 30 cm ion thruster von Chen, Juanjuan, Li, Juan, Wang, Yanlong, Yang, Hao, Guo, Dezhou, Zhang, Tao

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Shear-promoted graphite-to-diamond phase transition at the grain boundary of nanocrystalline graphite von Dezhou Guo, Kun Luo, Qi An

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Dislocation-mediated shear amorphization in boron carbide von Reddy, Kolan Madhav, Guo, Dezhou, Song, Shuangxi, Cheng, Chun, Han, Jiuhui, Wang, Xiaodong, An, Qi, Chen, Mingwei

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Deconvoluting XPS Spectra of La-Containing Perovskites from First-Principles von Whitten, Ariel, Guo, Dezhou, Tezel, Elif, Denecke, Reinhard, Nikolla, Eranda, McEwen, Jean-Sabin

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Thermal Stability and Detonation Properties of Potassium 4,4′-Bis(dinitromethyl)-3,3′-azofurazanate, an Environmentally Friendly Energetic Three-Dimensional Metal–Organic Framework... von Guo, Dezhou, An, Qi

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Detonation Performance of Insensitive Nitrogen-Rich Nitroenamine Energetic Materials Predicted from First-Principles Reactive Molecular Dynamics Simulations von Guo, Dezhou, Wei, Yuanyuan, Zybin, Sergey V., Liu, Yan, Huang, Fenglei, Goddard, William A.

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Transgranular amorphous shear band formation in polycrystalline boron carbide von Guo, Dezhou, An, Qi

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Elucidating the Cooperative Roles of Water and Lewis Acid–Base Pairs in Cascade C–C Coupling and Self-Deoxygenation Reactions von Li, Houqian, Guo, Dezhou, Ulumuddin, Nisa, Jaegers, Nicholas R., Sun, Junming, Peng, Bo, McEwen, Jean-Sabin, Hu, Jianzhi, Wang, Yong

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Influence of Silicon on the Detonation Performance of Energetic Materials from First-Principles Molecular Dynamics Simulations von Guo, Dezhou, Guo, Dezhao, Huang, Fenglei, An, Qi

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Synthesis of a Porous [14]Annulene Graphene Nanoribbon and a Porous [30]Annulene Graphene Nanosheet on Metal Surfaces von Qin, Tianchen, Guo, Dezhou, Xiong, Juanjuan, Li, Xingyu, Hu, Lei, Yang, Weishan, Chen, Zijie, Wu, Yulun, Ding, Honghe, Hu, Jun, Xu, Qian, Wang, Tao, Zhu, Junfa

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Construction of rGH/NTO 3D-network composite with improved energy release efficiency and significantly reduced corrosiveness of 3-nitro-1,2,4-triazole-5-one von Wang, Zhiqiang, Zhou, Xu, Wang, Yi, Zong, Renzhe, Li, Quanlin, Sun, Zhimin, Guo, Dezhou, Tong, Yi, Huang, Fenglei, Xu, Jinjiang

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Elucidating the Role of B-Site Cations toward CO2 Reduction in Perovskite-Based Solid Oxide Electrolysis Cells von Tezel, Elif, Guo, Dezhou, Whitten, Ariel, Yarema, Genevieve, Freire, Maikon, Denecke, Reinhard, McEwen, Jean-Sabin, Nikolla, Eranda

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Thermal decomposition and diffusion of methane in clathrate hydrates from quantum mechanics simulations von Guo, Dezhou, Wang, Hongwei, Shen, Yidi, An, Qi

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Investigation of variable aperture on the performance and lifetime of ion thruster von CHEN, Juanjuan, JIA, Yanhui, GENG, Hai, GUO, Ning, GUO, Dezhou

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Super Strengthening Nano‐Polycrystalline Diamond through Grain Boundary Thinning von Yao, Mingguang, Shen, Fangren, Guo, Dezhou, Zhang, Hua, Zhai, Chunguang, Shang, Yuchen, Dong, Jiajun, Zhao, Yuanlong, Liu, Zhaodong, Li, Zhipeng, Li, Haixin, Li, Hongdong, An, Qi, Liu, Bingbing

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Compressive Shear Reactive Molecular Dynamics Studies Indicating That Cocrystals of TNT/CL-20 Decrease Sensitivity von Guo, Dezhou, An, Qi, Goddard, William A, Zybin, Sergey V, Huang, Fenglei

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The co-crystal of TNT/CL-20 leads to decreased sensitivity toward thermal decomposition from first principles based reactive molecular dynamics von Guo, Dezhou, An, Qi, Zybin, Sergey V., Goddard III, William A., Huang, Fenglei, Tang, Bin

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Increasing Oxygen Balance Leads to Enhanced Performance in Environmentally Acceptable High-Energy Density Materials: Predictions from First-Principles Molecular Dynamics Simulation... von Guo, Dezhou, Zybin, Sergey V, Chafin, Andrew P, Goddard, William A

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Elucidating the Role of B-Site Cations toward CO 2 Reduction in Perovskite-Based Solid Oxide Electrolysis Cells von Tezel, Elif, Guo, Dezhou, Whitten, Ariel, Yarema, Genevieve, Freire, Maikon, Denecke, Reinhard, McEwen, Jean-Sabin, Nikolla, Eranda

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