Exfoliating biocompatible ferromagnetic Cr-trihalide monolayers von Liu, Junyi, Sun, Qiang, Kawazoe, Yoshiyuki, Jena, Puru

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Penta-graphene: A new carbon allotrope von Zhang, Shunhong, Zhou, Jian, Wang, Qian, Chen, Xiaoshuang, Kawazoe, Yoshiyuki, Jena, Puru

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Moving beyond bimetallic-alloy to single-atom dimer atomic-interface for all-pH hydrogen evolution von Kumar, Ashwani, Bui, Viet Q., Lee, Jinsun, Wang, Lingling, Jadhav, Amol R., Liu, Xinghui, Shao, Xiaodong, Liu, Yang, Yu, Jianmin, Hwang, Yosep, Bui, Huong T. D., Ajmal, Sara, Kim, Min Gyu, Kim, Seong-Gon, Park, Gyeong-Su, Kawazoe, Yoshiyuki, Lee, Hyoyoung

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Lattice thermal conductivity of penta-graphene von Wang, Fancy Qian, Yu, Jiabing, Wang, Qian, Kawazoe, Yoshiyuki, Jena, Puru

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Large-gap two-dimensional topological insulator in oxygen functionalized MXene von Weng, Hongming, Ranjbar, Ahmad, Liang, Yunye, Song, Zhida, Khazaei, Mohammad, Yunoki, Seiji, Arai, Masao, Kawazoe, Yoshiyuki, Fang, Zhong, Dai, Xi

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Clustering of Ti on a C60 Surface and Its Effect on Hydrogen Storage von Sun, Qiang, Wang, Qian, Jena, Puru, Kawazoe, Yoshiyuki

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Exploring new two-dimensional monolayers: pentagonal transition metal borides/carbides (penta-TMB/Cs) von Shao, Yangfan, Shao, Mengmeng, Kawazoe, Yoshiyuki, Shi, Xingqiang, Pan, Hui

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Novel Electronic and Magnetic Properties of Two-Dimensional Transition Metal Carbides and Nitrides von Khazaei, Mohammad, Arai, Masao, Sasaki, Taizo, Chung, Chan-Yeup, Venkataramanan, Natarajan S., Estili, Mehdi, Sakka, Yoshio, Kawazoe, Yoshiyuki

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High-Throughput Computational Screening of Two-Dimensional Semiconductors von Wang, Vei, Tang, Gang, Liu, Ya-Chao, Wang, Ren-Tao, Mizuseki, Hiroshi, Kawazoe, Yoshiyuki, Nara, Jun, Geng, Wen Tong

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Synergistic Effects of Nitrogen Doping on MXene for Enhancement of Hydrogen Evolution Reaction von Le, Thi Anh, Bui, Quoc Viet, Tran, Ngoc Quang, Cho, Yunhee, Hong, Yeseul, Kawazoe, Yoshiyuki, Lee, Hyoyoung

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Non-adiabatic excited-state time-dependent GW molecular dynamics (TDGW) satisfying extended Koopmans’ theorem: An accurate description of methane photolysis von Manjanath, Aaditya, Sahara, Ryoji, Ohno, Kaoru, Kawazoe, Yoshiyuki

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Potential of AlN Nanostructures as Hydrogen Storage Materials von Wang, Qian, Sun, Qiang, Jena, Puru, Kawazoe, Yoshiyuki

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Two-dimensional pentagonal CrX (X = S, Se or Te) monolayers: antiferromagnetic semiconductors for spintronics and photocatalysts von Chen, Wenzhou, Kawazoe, Yoshiyuki, Shi, Xingqiang, Pan, Hui

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Interfacial properties of penta-graphene-metal contacts von Hassan, Arzoo, Guo, Yaguang, Wang, Qian, Kawazoe, Yoshiyuki, Jena, Puru

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Microwave-assisted synthesis of nano Hf- and Zr-based metal-organic frameworks for enhancement of curcumin adsorption von Thi Dang, Y., Hoang, Hieu Trung, Dong, Hieu Cao, Bui, Kim-Binh Thi, Nguyen, Linh Ho Thuy, Phan, Thang Bach, Kawazoe, Yoshiyuki, Doan, Tan Le Hoang

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A new 3D Dirac nodal-line semi-metallic graphene monolith for lithium ion battery anode materials von Liu, Jie, Li, Xiaoyin, Wang, Qian, Kawazoe, Yoshiyuki, Jena, Puru

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N-doped peanut-shaped carbon nanotubes for efficient CO2 electrocatalytic reduction von Zhou, Wenyang, Shen, Haoming, Wang, Qian, Onoe, Jun, Kawazoe, Yoshiyuki, Jena, Puru

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Ferromagnetic and Half-Metallic FeC2 Monolayer Containing C2 Dimers von Zhao, Tianshan, Zhou, Jian, Wang, Qian, Kawazoe, Yoshiyuki, Jena, Puru

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Monoclinic C16: sp-sp hybridized nodal-line semimetal protected by PT-symmetry von Feng, Xing, Wu, Quansheng, Cheng, Yong, Wen, Bin, Wang, Qian, Kawazoe, Yoshiyuki, Jena, Puru

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Exploration of glassy state in Prussian blue analogues von Ma, Nattapol, Ohtani, Ryo, Le, Hung M., Sørensen, Søren S., Ishikawa, Ryuta, Kawata, Satoshi, Bureekaew, Sareeya, Kosasang, Soracha, Kawazoe, Yoshiyuki, Ohara, Koji, Smedskjaer, Morten M., Horike, Satoshi

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