Search results for "first-principles calculation" | NDL Search

Search results 19

Group by title

コバルト系擬キャパシタの蓄電特性に関する第一原理解析

Digital博士論文障害者向け資料あり

奥村, 健司2024-03

National Diet Library

Subject HeadingFirst-principles calculation Density functional theory Pse...

三元水素化物高温超伝導体の情報科学的構造探索

Digital博士論文障害者向け資料あり

宋, 鵬2023-09

National Diet Library

Subject HeadingFirst-principles calculation Pressure effects Structural p...

Rational design of dielectric oxide materials through first-principles calculations and machine-learning technique

Digital博士論文障害者向け資料あり

Umeda, Yuji2020-01-23

Available onlineNational Diet LibraryOther Libraries in Japan

Subject Heading...oxygen vacancy first-principles calculations high-throughput screening

Low-dimensional atomic-scale multiferroics in nonmagnetic ferroelectrics from lattice defects engineering

Digital博士論文障害者向け資料あり

Xu, Tao2017-09-25

Available onlineNational Diet LibraryOther Libraries in Japan

Subject HeadingMultiferroics Lattice defects Ferroelectrics Nonstoichiometry First-principles calculations

超薄Mo1-XNbxS2層の作製と熱電物性の研究

Digital博士論文障害者向け資料あり

Pham, Thi Xuan2018-12

National Diet Library

Subject HeadingMoS2 thermoelectric properties ultrathin layer weak localization first-principles calculations

Theoretical investigations of solid solutions and hydrogenation of Ti-V based compounds

Digital博士論文障害者向け資料あり

Otani, Noriko2017-03-23

Available onlineNational Diet LibraryOther Libraries in Japan

Subject Heading... Metal hydride First-principles calculations Cluster expansion Phonon cal...

第一原理電子状態計算による新奇硫化物熱電材料のマテリアルデザインと電子輸送現象の研究

Digital博士論文障害者向け資料あり

宮田, 全展2017-09

National Diet Library

Theoretical Studies of Lithium-Ion Diffusion in LISICON-Type Solid Electrolytes

Digital博士論文障害者向け資料あり

Fujimura, Koji2013-09-24

Available onlineNational Diet LibraryOther Libraries in Japan

Subject Heading...c conductivity first-principles calculations molecular dynamics machine l...

Systematic survey of phosphate materials for lithium-ion batteries by first principle calculations

Digital博士論文障害者向け資料あり

Ohira, Koji2013-09-24

Available onlineNational Diet LibraryOther Libraries in Japan

Subject Heading...tal phosphates first-principles calculations phase stability volumetric e...

Bi2O3およびその固溶体における酸化物イオン伝導

Digital博士論文障害者向け資料あり

Shitara, Kazuki2015-03-23

Available onlineNational Diet LibraryOther Libraries in Japan

Subject Headingδ-Bi2O3 rare-earth oxide first-principles calculation ionic conductivity order-diso...