Search Results - "Kawazoe, Yoshiyuki"

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

“…In addition to spintronics another motivation for exploring ferromagnetic two-dimensional materials is for biomedical applications such as magnetic labeling…”
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Penta-graphene: A new carbon allotrope by Zhang, Shunhong, Zhou, Jian, Wang, Qian, Chen, Xiaoshuang, Kawazoe, Yoshiyuki, Jena, Puru

“…A 2D metastable carbon allotrope, penta-graphene, composed entirely of carbon pentagons and resembling the Cairo pentagonal tiling, is proposed…”
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Moving beyond bimetallic-alloy to single-atom dimer atomic-interface for all-pH hydrogen evolution by 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

“…Single-atom-catalysts (SACs) afford a fascinating activity with respect to other nanomaterials for hydrogen evolution reaction (HER), yet the simplicity of…”
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Large-gap two-dimensional topological insulator in oxygen functionalized MXene by Weng, Hongming, Ranjbar, Ahmad, Liang, Yunye, Song, Zhida, Khazaei, Mohammad, Yunoki, Seiji, Arai, Masao, Kawazoe, Yoshiyuki, Fang, Zhong, Dai, Xi

“…Two-dimensional (2D) topological insulators (TIs) have been recognized as a new class of quantum state of matter. They are distinguished from normal 2D…”
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Lattice thermal conductivity of penta-graphene by Wang, Fancy Qian, Yu, Jiabing, Wang, Qian, Kawazoe, Yoshiyuki, Jena, Puru

“…Motivated by the unique geometry and novel properties of penta-graphene proposed recently as a new carbon allotrope consisting of pure pentagons [Zhang et al…”
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Clustering of Ti on a C60 Surface and Its Effect on Hydrogen Storage by Sun, Qiang, Wang, Qian, Jena, Puru, Kawazoe, Yoshiyuki

“…Recent efforts in finding materials suitable for storing hydrogen with large gravimetric density have focused attention on carbon-based nanostructures…”
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Novel Electronic and Magnetic Properties of Two-Dimensional Transition Metal Carbides and Nitrides by Khazaei, Mohammad, Arai, Masao, Sasaki, Taizo, Chung, Chan-Yeup, Venkataramanan, Natarajan S., Estili, Mehdi, Sakka, Yoshio, Kawazoe, Yoshiyuki

“…Layered MAX phases are exfoliated into 2D single layers and multilayers, so‐called MXenes. Using first‐principles calculations, the formation and electronic…”
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Synergistic Effects of Nitrogen Doping on MXene for Enhancement of Hydrogen Evolution Reaction by Le, Thi Anh, Bui, Quoc Viet, Tran, Ngoc Quang, Cho, Yunhee, Hong, Yeseul, Kawazoe, Yoshiyuki, Lee, Hyoyoung

“…Earth-abundant, nonprecious, and efficient electrocatalysts for effective hydrogen evolution reaction (HER) are crucial for future large-scale green energy…”
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High-Throughput Computational Screening of Two-Dimensional Semiconductors by Wang, Vei, Tang, Gang, Liu, Ya-Chao, Wang, Ren-Tao, Mizuseki, Hiroshi, Kawazoe, Yoshiyuki, Nara, Jun, Geng, Wen Tong

“…Two-dimensional (2D) materials have attracted great attention mainly due to their unique physical properties and ability to fulfill the demands of future…”
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Potential of AlN Nanostructures as Hydrogen Storage Materials by Wang, Qian, Sun, Qiang, Jena, Puru, Kawazoe, Yoshiyuki

“…The capability of AlN nanostructures (nanocages, nanocones, nanotubes, and nanowires) to store hydrogen has been studied using gradient-corrected density…”
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Microwave-assisted synthesis of nano Hf- and Zr-based metal-organic frameworks for enhancement of curcumin adsorption by 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

“…Hf- and Zr-based metal-organic frameworks are highly stable and porous materials that have been attracted in many applications, especially in biomedicine. The…”
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N-doped peanut-shaped carbon nanotubes for efficient CO2 electrocatalytic reduction by Zhou, Wenyang, Shen, Haoming, Wang, Qian, Onoe, Jun, Kawazoe, Yoshiyuki, Jena, Puru

“…Using first principles calculations and the computational hydrogen electrode (CHE) model, we present the first systematic study of CO2 electrocatalytic…”
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Monoclinic C16: sp-sp hybridized nodal-line semimetal protected by PT-symmetry by Feng, Xing, Wu, Quansheng, Cheng, Yong, Wen, Bin, Wang, Qian, Kawazoe, Yoshiyuki, Jena, Puru

“…Not provided…”
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A metallic peanut-shaped carbon nanotube and its potential for CO2 capture by Zhao, Tianshan, Wang, Qian, Kawazoe, Yoshiyuki, Jena, Puru

“…One of the greatest challenges in greenhouse gas reduction is to develop low-cost materials capable of efficient CO2 capture. Carbon, due to its flexible…”
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Ferromagnetic and Half-Metallic FeC2 Monolayer Containing C2 Dimers by Zhao, Tianshan, Zhou, Jian, Wang, Qian, Kawazoe, Yoshiyuki, Jena, Puru

“…Ferromagnetism and half-metallicity are two vital properties of a material for realizing its potential in spintronics applications. However, none of the…”
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Exploration of glassy state in Prussian blue analogues by 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

“…Prussian blue analogues (PBAs) are archetypes of microporous coordination polymers/metal–organic frameworks whose versatile composition allows for diverse…”
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Disordering in Fe3Ga alloy of D03 structure: Effect on stability and magnetostriction by Inerbaev, Talgat, Abuova, Aisulu, Dauletbekova, Alma, Kawazoe, Yoshiyuki, Umetsu, Rie

“…The effect of the structural disorder and Ga content variation on the mechanical stability and magnetostrictive properties of the Fe3Ga alloy of structure D03…”
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First principle study on the Si effect in the Fe-based soft magnetic nano-crystalline alloys by Wang, Yaocen, Zhang, Yan, Makino, Akihiro, Kawazoe, Yoshiyuki

“…The contributing effects of Si inclusion on the fabrication and performance of the Fe-based amorphous/nano-crystalline alloys were extensively studied with the…”
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Theoretical Study of Hydrogen Storage in Ca-Coated Fullerenes by Wang, Qian, Sun, Qiang, Jena, Puru, Kawazoe, Yoshiyuki

“…First principles calculations based on gradient corrected density functional theory and molecular dynamics simulations of Ca decorated fullerene yield some…”
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Engineering of Band Gap in Metal–Organic Frameworks by Functionalizing Organic Linker: A Systematic Density Functional Theory Investigation by Pham, Hung Q, Mai, Toan, Pham-Tran, Nguyen-Nguyen, Kawazoe, Yoshiyuki, Mizuseki, Hiroshi, Nguyen-Manh, Duc

“…A systematic investigation on electronic band structure of a series of isoreticular metal–organic frameworks (IRMOFs) using density functional theory has been…”
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