MDR: NIMS Materials Data Repository

156 records found. Displaying records 1 to 10.

The Python simulations of chemistry framework: 10 years of an open-source quantum chemistry project

Journal article
Creator: Qiming Sun (author) (Search by this author)

https://orcid.org/0000-0003-0528-6186 (unauthenticated)

;

Matthew R. Hermes (author) (Search by this author)

https://orcid.org/0000-0001-7807-2950 (unauthenticated)

;

Xiaojie Wu (author) (Search by this author)

https://orcid.org/0000-0002-4259-2636 (unauthenticated)

;

Huanchen Zhai (author) (Search by this author)

https://orcid.org/0000-0003-0086-0388 (unauthenticated)

;

Xing Zhang (author) (Search by this author)

https://orcid.org/0000-0002-1892-1380 (unauthenticated)

;

Abdelrahman M. Ahmed (author) (Search by this author)

https://orcid.org/0009-0002-2428-6130 (unauthenticated)

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Juan José Aucar (author) (Search by this author)

https://orcid.org/0000-0002-9065-2242 (unauthenticated)

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Oliver J. Backhouse (author) (Search by this author)

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Samragni Banerjee (author) (Search by this author)

https://orcid.org/0000-0002-6160-4241 (unauthenticated)

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Peng Bao (author) (Search by this author)

https://orcid.org/0000-0003-1581-8844 (unauthenticated)

;

Nikolay A. Bogdanov (author) (Search by this author)

https://orcid.org/0000-0002-5437-4919 (unauthenticated)

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Kyle Bystrom (author) (Search by this author)

https://orcid.org/0000-0003-1342-4972 (unauthenticated)

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Frédéric Chapoton (author) (Search by this author)

https://orcid.org/0000-0001-8313-1644 (unauthenticated)

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Ning-Yuan Chen (author) (Search by this author)

https://orcid.org/0009-0002-6146-7360 (unauthenticated)

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Ivan Yu. Chernyshov (author) (Search by this author)

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Helen S. Clifford (author) (Search by this author)

https://orcid.org/0009-0003-0161-0476 (unauthenticated)

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Sander Cohen-Janes (author) (Search by this author)

https://orcid.org/0000-0003-4716-8874 (unauthenticated)

;

Zhi-Hao Cui (author) (Search by this author)

https://orcid.org/0000-0002-7389-4063 (unauthenticated)

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Yann D. Damour (author) (Search by this author)

https://orcid.org/0000-0002-8868-9863 (unauthenticated)

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Nike Dattani (author) (Search by this author)

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Linus Bjarne Dittmer (author) (Search by this author)

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Sebastian Ehlert (author) (Search by this author)

https://orcid.org/0000-0001-7809-771X (unauthenticated)

;

Janus Juul Eriksen (author) (Search by this author)

https://orcid.org/0000-0001-8583-3842 (unauthenticated)

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Francesco A. Evangelista (author) (Search by this author)

https://orcid.org/0000-0002-7917-6652 (unauthenticated)

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Simon A. Ewing (author) (Search by this author)

https://orcid.org/0000-0003-0311-9616 (unauthenticated)

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Ardavan Farahvash (author) (Search by this author)

https://orcid.org/0000-0001-5230-2631 (unauthenticated)

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Kevin Focke (author) (Search by this author)

https://orcid.org/0009-0009-9079-1769 (unauthenticated)

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Yang Gao (author) (Search by this author)

https://orcid.org/0000-0003-2320-2839 (unauthenticated)

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Kevin E. Gasperich (author) (Search by this author)

https://orcid.org/0000-0003-2210-5498 (unauthenticated)

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Nathan Gillispie (author) (Search by this author)

https://orcid.org/0009-0004-6684-086X (unauthenticated)

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Jonas Greiner (author) (Search by this author)

https://orcid.org/0000-0002-5020-9414 (unauthenticated)

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Matthew R. Hennefarth (author) (Search by this author)

https://orcid.org/0000-0002-6601-2253 (unauthenticated)

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Jan Hermann (author) (Search by this author)

https://orcid.org/0000-0002-2779-0749 (unauthenticated)

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Christopher Hillenbrand (author) (Search by this author)

https://orcid.org/0009-0000-2682-070X (unauthenticated)

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Joonatan Huhtasalo (author) (Search by this author)

https://orcid.org/0000-0001-7020-6774 (unauthenticated)

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Basil Ibrahim (author) (Search by this author)

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Bhavnesh Jangid (author) (Search by this author)

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Alireza Nejati Javaremi (author) (Search by this author)

https://orcid.org/0009-0003-5099-690X (unauthenticated)

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Andrew J. Jenkins (author) (Search by this author)

https://orcid.org/0000-0002-1014-5225 (unauthenticated)

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Yu Jin (author) (Search by this author)

https://orcid.org/0000-0002-6073-9953 (unauthenticated)

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Daniel S. King (author) (Search by this author)

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Derk Pieter Kooi (author) (Search by this author)

https://orcid.org/0000-0001-9036-9722 (unauthenticated)

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Jo S. Kurian (author) (Search by this author)

https://orcid.org/0000-0001-9273-1043 (unauthenticated)

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Henrik R. Larsson (author) (Search by this author)

https://orcid.org/0000-0002-9417-1518 (unauthenticated)

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Bryan Tak Gwong Lau (author) (Search by this author)

https://orcid.org/0000-0003-1182-1237 (unauthenticated)

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Seunghoon Lee (author) (Search by this author)

https://orcid.org/0000-0003-3665-587X (unauthenticated)

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Susi Lehtola (author) (Search by this author)

https://orcid.org/0000-0001-6296-8103 (unauthenticated)

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Chenghan Li (author) (Search by this author)

https://orcid.org/0000-0001-6095-9318 (unauthenticated)

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Hao Li (author) (Search by this author)

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Jiachen Li (author) (Search by this author)

https://orcid.org/0000-0002-9863-1091 (unauthenticated)

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Rui Li (author) (Search by this author)

https://orcid.org/0009-0002-9029-6847 (unauthenticated)

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Shuhang Li (author) (Search by this author)

https://orcid.org/0000-0002-1488-9897 (unauthenticated)

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Aleksandr O. Lykhin (author) (Search by this author)

https://orcid.org/0000-0002-9366-5866 (unauthenticated)

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Ankit Mahajan (author) (Search by this author)

https://orcid.org/0000-0002-2138-3798 (unauthenticated)

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Nastasia Mauger (author) (Search by this author)

https://orcid.org/0000-0001-7944-4090 (unauthenticated)

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Pablo del Mazo-Sevillano (author) (Search by this author)

https://orcid.org/0000-0001-5411-1724 (unauthenticated)

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Jonathan Moussa (author) (Search by this author)

https://orcid.org/0000-0003-3701-1830 (unauthenticated)

;

Kousuke Nakano (author) (Search by this author)

https://orcid.org/0000-0001-7756-4355

NIMS Researchers Directory SAMURAI

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Verena A. Neufeld (author) (Search by this author)

https://orcid.org/0000-0002-4204-746X (unauthenticated)

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Linqing Peng (author) (Search by this author)

https://orcid.org/0000-0001-5682-2407 (unauthenticated)

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Hung Q. Pham (author) (Search by this author)

https://orcid.org/0000-0003-3608-1298 (unauthenticated)

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Peter Pinski (author) (Search by this author)

https://orcid.org/0000-0003-2874-6843 (unauthenticated)

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Pavel Pokhilko (author) (Search by this author)

https://orcid.org/0000-0001-5754-9836 (unauthenticated)

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Zhichen Pu (author) (Search by this author)

https://orcid.org/0000-0003-3368-1052 (unauthenticated)

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Yubing Qian (author) (Search by this author)

https://orcid.org/0000-0001-6980-163X (unauthenticated)

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Stephen Jon Quiton (author) (Search by this author)

https://orcid.org/0000-0002-7623-2583 (unauthenticated)

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Wanja T. Schulze (author) (Search by this author)

https://orcid.org/0000-0002-4025-1790 (unauthenticated)

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Thais R. Scott (author) (Search by this author)

https://orcid.org/0000-0002-5746-5517 (unauthenticated)

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Aniruddha Seal (author) (Search by this author)

https://orcid.org/0000-0002-5710-5378 (unauthenticated)

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James D. Serna (author) (Search by this author)

https://orcid.org/0009-0002-7742-2407 (unauthenticated)

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James E. T. Smith (author) (Search by this author)

https://orcid.org/0000-0002-5130-8633 (unauthenticated)

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Kori E. Smyser (author) (Search by this author)

https://orcid.org/0000-0002-3697-0717 (unauthenticated)

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Terrence Stahl (author) (Search by this author)

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Chong Sun (author) (Search by this author)

https://orcid.org/0000-0002-8299-9094 (unauthenticated)

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Kevin J. Sung (author) (Search by this author)

https://orcid.org/0000-0001-6459-6374 (unauthenticated)

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Egor Trushin (author) (Search by this author)

https://orcid.org/0000-0003-1244-2984 (unauthenticated)

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Shiv Upadhyay (author) (Search by this author)

https://orcid.org/0000-0002-8501-0501 (unauthenticated)

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Ethan A. Vo (author) (Search by this author)

https://orcid.org/0000-0001-9059-4911 (unauthenticated)

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Thijs Vogels (author) (Search by this author)

https://orcid.org/0000-0002-5884-4842 (unauthenticated)

;

Shirong Wang (author) (Search by this author)

https://orcid.org/0000-0002-1352-9611 (unauthenticated)

;

Tai Wang (author) (Search by this author)

https://orcid.org/0009-0009-5775-5483 (unauthenticated)

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Xiao Wang (author) (Search by this author)

https://orcid.org/0000-0003-1402-7522 (unauthenticated)

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Xubo Wang (author) (Search by this author)

https://orcid.org/0000-0003-3522-7435 (unauthenticated)

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Yuanheng Wang (author) (Search by this author)

https://orcid.org/0000-0002-6147-0669 (unauthenticated)

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Mark Williamson (author) (Search by this author)

https://orcid.org/0000-0002-5295-7811 (unauthenticated)

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Junjie Yang (author) (Search by this author)

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Hong-Zhou Ye (author) (Search by this author)

https://orcid.org/0000-0002-3714-2753 (unauthenticated)

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Chia-Nan Yeh (author) (Search by this author)

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Haiyang Yu (author) (Search by this author)

https://orcid.org/0009-0004-3723-4692 (unauthenticated)

;

Jincheng Yu (author) (Search by this author)

https://orcid.org/0000-0001-8487-5565 (unauthenticated)

;

Victor Wen-zhe Yu (author) (Search by this author)

https://orcid.org/0000-0002-6568-1244 (unauthenticated)

;

Chaoqun Zhang (author) (Search by this author)

https://orcid.org/0000-0002-1348-6797 (unauthenticated)

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Dayou Zhang (author) (Search by this author)

https://orcid.org/0000-0002-5393-657X (unauthenticated)

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Yichi Zhang (author) (Search by this author)

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Zijun Zhao (author) (Search by this author)

https://orcid.org/0000-0003-0399-2968 (unauthenticated)

;

Zehao Zhou (author) (Search by this author)

https://orcid.org/0000-0003-2185-6855 (unauthenticated)

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Andrew J. Zhu (author) (Search by this author)

https://orcid.org/0000-0002-4305-125X (unauthenticated)

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Tianyu Zhu (author) (Search by this author)

https://orcid.org/0000-0003-2061-3237 (unauthenticated)

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Timothy C. Berkelbach (author) (Search by this author)

https://orcid.org/0000-0002-7445-2136 (unauthenticated)

;

Laura Gagliardi (author) (Search by this author)

https://orcid.org/0000-0001-5227-1396 (unauthenticated)

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Sandeep Sharma (author) (Search by this author)

https://orcid.org/0000-0002-6598-8887 (unauthenticated)

;

Alexander Yu. Sokolov (author) (Search by this author)

https://orcid.org/0000-0003-2637-4134 (unauthenticated)

;

Garnet Kin-Lic Chan (author) (Search by this author)

https://orcid.org/0000-0001-8009-6038 (unauthenticated)
Keyword: qunatum chemistry
Date published: 2026-09-14
Updated at: 2026-09-11 11:25:23 +0900

Liquid-activated quantum emission from pristine hexagonal boron nitride for nanofluidic sensing

Journal article
Creator: Nathan Ronceray (author) (Search by this author)

;

Yi You (author) (Search by this author)

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Evgenii Glushkov (author) (Search by this author)

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Martina Lihter (author) (Search by this author)

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Benjamin Rehl (author) (Search by this author)

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Tzu-Heng Chen (author) (Search by this author)

;

Gwang-Hyeon Nam (author) (Search by this author)

;

Fanny Borza (author) (Search by this author)

;

Kenji Watanabe (author) (Search by this author)

https://orcid.org/0000-0003-3701-8119

National Institute for Materials Science

NIMS Researchers Directory SAMURAI

;

Takashi Taniguchi (author) (Search by this author)

https://orcid.org/0000-0002-1467-3105

National Institute for Materials Science

NIMS Researchers Directory SAMURAI

;

Sylvie Roke (author) (Search by this author)

;

Ashok Keerthi (author) (Search by this author)

;

Jean Comtet (author) (Search by this author)

;

Boya Radha (author) (Search by this author)

;

Aleksandra Radenovic (author) (Search by this author)
Keyword: Atomic scale, new properties, optical approaches
Date published: 2023-08-31
Updated at: 2025-02-28 08:30:45 +0900

A high voltage aqueous proton battery using an optimized operation of a MoO3 positive electrode

Journal article
Creator: Atsunori Ikezawa (author) (Search by this author)

https://orcid.org/0000-0002-8857-7159 (unauthenticated)

Tokyo Institute of Technology

;

KOYAMA, Yukinori (author) (Search by this author)

https://orcid.org/0000-0002-7090-4430

Research and Services Division of Materials Data and Integrated System/Device Materials Informatics Group, National Institute for Materials Science

NIMS Researchers Directory SAMURAI

;

Tadaaki Nishizawa (author) (Search by this author)

Tokyo Institute of Technology

;

Hajime Arai (author) (Search by this author)

https://orcid.org/0000-0001-6695-637X (unauthenticated)

Tokyo Institute of Technology
Keyword: proton battery, molybdenum trioxide, operando x-ray diffraction, density functional theory
Date published: 2023-01-06
Updated at: 2024-01-05 22:11:59 +0900

Distinctive fatigue properties of additively-formed CoCrFeNiTiMo multi-principal element alloy: Excellent fatigue crack growth resistance against ordinally high cycle fatigue strength

Journal article
Creator: Hideaki Nishikawa (author) (Search by this author)

https://orcid.org/0000-0002-2484-6903

National Institute of Materials Science (NIMS)

NIMS Researchers Directory SAMURAI

;

Yoshiyuki Furuya (author) (Search by this author)

National Institute of Materials Science (NIMS)

;

Houichi Kitano (author) (Search by this author)

National Institute of Materials Science (NIMS)

;

Yoshiharu Kanegae (author) (Search by this author)

Proterial, Ltd.

;

Kinya Aota (author) (Search by this author)

Proterial, Ltd.

;

Kosuke Kuwabara (author) (Search by this author)

Proterial, Ltd.
Keyword: Fatigue, Additive manufacturing, High entropy alloy, Multi principal element alloy, Short fatigue crack
Date published: 2023-11-25
Updated at: 2025-11-25 08:30:10 +0900

Numerical simulation of active magnetic regenerative refrigeration using Gyroid structured regenerator at room temperature

Journal article
Creator: Sotaro Nishioka (author) (Search by this author)

https://orcid.org/0000-0002-6728-4293

National Institute for Materials Science

NIMS Researchers Directory SAMURAI

;

Hossein Sepehri-Amin (author) (Search by this author)

https://orcid.org/0000-0002-7856-7897

National Institute for Materials Science

NIMS Researchers Directory SAMURAI

;

Akiko T․ Saito (author) (Search by this author)

https://orcid.org/0000-0001-5920-5965

NIMS Researchers Directory SAMURAI
Keyword: Magnetic, Refrigeration, AMR, Gyroid
Date published: 2024-11-13
Updated at: 2025-02-23 22:49:05 +0900

bera-et-al-2025-construction-of-heterometallic-coordination-nanosheets-comprising-both-inert-and-labile-metal-ions.pdf

Construction of Heterometallic Coordination Nanosheets Comprising Both Inert and Labile Metal Ions Together via Metalloligand Approach

Journal article
Creator: Manas K. Bera (author) (Search by this author)

https://orcid.org/0000-0003-4784-9530 (unauthenticated)

National Institute for Materials Science

;

Sanjib Sarmah (author) (Search by this author)

;

Atanu Maity (author) (Search by this author)

;

Masayoshi Higuchi (author) (Search by this author)

https://orcid.org/0000-0001-9877-1134

National Institute for Materials Science

NIMS Researchers Directory SAMURAI
Keyword: Coordination Nanosheets
Date published: 2025-05-12
Updated at: 2026-01-06 08:59:31 +0900