A versatile single-ion electrolyte with a Grotthuss-like Li conduction mechanism for dendrite-free Li metal batteries von Yuan, Shouyi, Bao, Junwei Lucas, Wei, Jishi, Xia, Yongyao, Truhlar, Donald G, Wang, Yonggang

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Effect of energy dependence of the density of states on pressure-dependent rate constants von Bao, Junwei Lucas, Truhlar, Donald G

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How well can density functional theory and pair-density functional theory predict the correct atomic charges for dissociation and accurate dissociation energetics of ionic bonds? von Bao, Junwei Lucas, Verma, Pragya, Truhlar, Donald G

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Variational transition state theory: theoretical framework and recent developments von Bao, Junwei Lucas, Truhlar, Donald G

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On the Upper Limits of Oxidation States in Chemistry von Hu, Shu‐Xian, Li, Wan‐Lu, Lu, Jun‐Bo, Bao, Junwei Lucas, Yu, Haoyu S., Truhlar, Donald G., Gibson, John K., Marçalo, Joaquim, Zhou, Mingfei, Riedel, Sebastian, Schwarz, W. H. Eugen, Li, Jun

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Self-Interaction Error in Density Functional Theory: An Appraisal von Bao, Junwei Lucas, Gagliardi, Laura, Truhlar, Donald G

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Graphene-Supported Nitrogen and Boron Rich Carbon Layer for Improved Performance of Lithium-Sulfur Batteries Due to Enhanced Chemisorption of Lithium Polysulfides von Yuan, Shouyi, Bao, Junwei Lucas, Wang, Lina, Xia, Yongyao, Truhlar, Donald G., Wang, Yonggang

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Rapid unimolecular reaction of stabilized Criegee intermediates and implications for atmospheric chemistry von Long, Bo, Bao, Junwei Lucas, Truhlar, Donald G.

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Reaction of SO2 with OH in the atmosphere von Long, Bo, Bao, Junwei Lucas, Truhlar, Donald G

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Earth-abundant photocatalyst for H2 generation from NH3 with light-emitting diode illumination von Yuan, Yigao, Zhou, Linan, Robatjazi, Hossein, Junwei Lucas Bao, Zhou, Jingyi, Bayles, Aaron, Lin, Yuan, Lou, Minghe, Minhan Lou, Khatiwada, Suman, Carter, Emily A, Nordlander, Peter, Halas, Naomi J

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All‐Organic Rechargeable Battery with Reversibility Supported by “Water‐in‐Salt” Electrolyte von Dong, Xiaoli, Yu, Hongchuan, Ma, Yuanyuan, Bao, Junwei Lucas, Truhlar, Donald G., Wang, Yonggang, Xia, Yongyao

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Surface Bromination of Lithium‐Metal Anode for High Cyclic Efficiency von Yao, Xiao, Wang, Jin, Lin, Shiru, Tao, Chengzhou, Zhang, Xuezhi, Wang, Wei, Zhao, Chengcheng, Wang, Lina, Bao, Junwei Lucas, Wang, Yonggang, Liu, Tianxi

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Enabling Lithium Metal Anode in Nonflammable Phosphate Electrolyte with Electrochemically Induced Chemical Reactions von Zhang, Haochuan, Luo, Jingru, Qi, Miao, Lin, Shiru, Dong, Qi, Li, Haoyi, Dulock, Nicholas, Povinelli, Christopher, Wong, Nicholas, Fan, Wei, Bao, Junwei Lucas, Wang, Dunwei

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Zinc‐Coordinated Imidazole‐Based Ionic Liquid as Liquid Salt for All‐Temperature Aqueous Zinc‐Ion Batteries von Zhong, Mingyang, Wang, Yang, Xie, Yihua, Yuan, Shouyi, Ding, Kai, Begin, Elijah J., Zhang, Yingjie, Bao, Junwei Lucas, Wang, Yonggang

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Boosting Fast‐Charging Capability of High‐Voltage Li Metal Batteries with Ionic Liquid Modified Ethereal Electrolyte von Ding, Kai, Begin, Elijah J., Yuan, Shouyi, Zhong, Mingyang, Wang, Yang, Zhang, Yingjie, Zeng, Xiaoyuan, Bao, Junwei Lucas, Wang, Yonggang

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Polysulfides in Magnesium‐Sulfur Batteries von Luo, Tongtong, Wang, Yang, Elander, Brooke, Goldstein, Michael, Mu, Yu, Wilkes, James, Fahrenbruch, Mikayla, Lee, Justin, Li, Tevin, Bao, Junwei Lucas, Mohanty, Udayan, Wang, Dunwei

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Salt-rich solid electrolyte interphase for safer high-energy-density Li metal batteries with limited Li excess von Yuan, Shouyi, Bao, Junwei Lucas, Wang, Nan, Zhang, Xiang, Wang, Yonggang, Truhlar, Donald G, Xia, Yongyao

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Silane-initiated nucleation in chemically active plasmas: validation of density functionals, mechanisms, and pressure-dependent variational transition state calculations von Bao, Junwei Lucas, Truhlar, Donald G

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Correlated-Participating-Orbitals Pair-Density Functional Method and Application to Multiplet Energy Splittings of Main-Group Divalent Radicals von Bao, Junwei Lucas, Sand, Andrew, Gagliardi, Laura, Truhlar, Donald G

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