Tomofumi Tada: search on Z-Library

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1

Vacancy-enabled N2 activation for ammonia synthesis on an Ni-loaded catalyst

Ye, Tian-Nan, Park, Sang-Won, Lu, Yangfan, Li, Jiang, Sasase, Masato, Kitano, Masaaki, Tada, Tomofumi, Hosono, Hideo

Journal:

Year:

2020

File:

PDF, 36.33 MB

2020

2

Single-Molecule Conductance of π-Conjugated Rotaxane: New Method for Measuring Stipulated Electric Conductance of π-Conjugated Molecular Wire Using STM Break Junction

Manabu Kiguchi, Shigeto Nakashima, Tomofumi Tada, Satoshi Watanabe, Susumu Tsuda, Yasushi Tsuji, Jun Terao

Journal:

Year:

2012

Language:

english

File:

PDF, 749 KB

english, 2012

3

Self-organized Ruthenium-Barium Core-Shell Nanoparticles on a Mesoporous Calcium Amide Matrix for Efficient Low-Temperature Ammonia Synthesis

Kitano, Masaaki, Inoue, Yasunori, Sasase, Masato, Kishida, Kazuhisa, Kobayashi, Yasukazu, Nishiyama, Kohei, Tada, Tomofumi, Kawamura, Shigeki, Yokoyama, Toshiharu, Hara, Michikazu, Hosono, Hideo

Journal:

Angewandte Chemie International Edition

Year:

2018

Language:

english

File:

PDF, 870 KB

english, 2018

4

How fluorine minimizes density fluctuations of silica glass: Molecular dynamics study with machine-learning assisted force-matching potential

Urata, Shingo, Nakamura, Nobuhiro, Aiba, Kento, Tada, Tomofumi, Hosono, Hideo

Journal:

Materials & Design

Year:

2021

File:

PDF, 4.66 MB

2021

5

Green’s function formalism coupled with Gaussian broadening of discrete states for quantum transport: Application to atomic and molecular wires

Tada, Tomofumi, Kondo, Masakazu, Yoshizawa, Kazunari

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 885 KB

english, 2004

6

Realization of Mott-insulating electrides in dimorphic

Lu, Yangfan, Wang, Junjie, Li, Jiang, Wu, Jiazhen, Kanno, Shu, Tada, Tomofumi, Hosono, Hideo

Journal:

Physical Review B

Year:

2018

Language:

english

File:

PDF, 7.76 MB

english, 2018

7

Submatrix inversion approach to the ab initio Green's function method for electrical transport

Tada, Tomofumi, Watanabe, Satoshi

Journal:

e-Journal of Surface Science and Nanotechnology

Year:

2006

Language:

english

File:

PDF, 481 KB

english, 2006

8

High-Throughput ab Initio Screening for Two-Dimensional Electride Materials

Tada, Tomofumi, Takemoto, Seiji, Matsuishi, Satoru, Hosono, Hideo

Journal:

Inorganic Chemistry

Year:

2014

Language:

english

File:

PDF, 4.24 MB

english, 2014

9

Organometallic Molecular Wires as Versatile Modules for Energy-Level Alignment of the Metal-Molecule-Metal Junction

Sugimoto, Kaho, Tanaka, Yuya, Fujii, Shintaro, Tada, Tomofumi, Kiguchi, Manabu, Akita, Munetaka

Journal:

Chemical Communications

Year:

2016

Language:

english

File:

PDF, 2.49 MB

english, 2016

10

Single-Molecule Junction of a Cationic Rh(III) Polyyne Molecular Wire

Tanaka, Yuya, Ohmura, Kohei, Fujii, Shintaro, Tada, Tomofumi, Kiguchi, Manabu, Akita, Munetaka

Journal:

Inorganic Chemistry

Year:

2020

File:

PDF, 3.32 MB

2020

11

Ternary intermetallic LaCoSi as a catalyst for N2 activation

Gong, Yutong, Wu, Jiazhen, Kitano, Masaaki, Wang, Junjie, Ye, Tian-Nan, Li, Jiang, Kobayashi, Yasukazu, Kishida, Kazuhisa, Abe, Hitoshi, Niwa, Yasuhiro, Yang, Hongsheng, Tada, Tomofumi, Hosono, Hideo

Journal:

Nature Catalysis

Year:

2018

Language:

english

File:

PDF, 1.74 MB

english, 2018

12

“Doping” of Polyyne with An Organometallic Fragment Leads to Highly Conductive Metallapolyyne Molecular Wire

Tanaka, Yuya, Kato, Yuya, Tada, Tomofumi, Fujii, Shintaro, Kiguchi, Manabu, Akita, Munetaka

Journal:

Journal of the American Chemical Society

Year:

2018

Language:

english

File:

PDF, 4.80 MB

english, 2018

13

Zirconium-peroxo embedded in non-stoichiometric yttria stabilized zirconia (110) from first-principles

Takemoto, Seiji, Tada, Tomofumi

Journal:

Solid State Ionics

Year:

2016

Language:

english

File:

PDF, 1.17 MB

english, 2016

14

Quantum Transport Effects in Copper(II) Phthalocyanine Sandwiched between Gold Nanoelectrodes

Tada, Tomofumi, Hamayama, Shinya, Kondo, Masakazu, Yoshizawa, Kazunari

Journal:

Journal of Physical Chemistry B

Year:

2005

Language:

english

File:

PDF, 363 KB

english, 2005

15

Efficient ab initio molecular-orbital approach to quasi-one-dimensional molecular crystals based on neighboring-interaction-localized molecular orbitals

Tada, Tomofumi, Aoki, Yuriko

Journal:

Physical Review B

Year:

2002

Language:

english

File:

PDF, 53 KB

english, 2002

16

Resolving metal-molecule interfaces at single-molecule junctions

Komoto, Yuki, Fujii, Shintaro, Nakamura, Hisao, Tada, Tomofumi, Nishino, Tomoaki, Kiguchi, Manabu

Journal:

Scientific Reports

Year:

2016

Language:

english

File:

PDF, 1008 KB

english, 2016

17

and

Inoshita, Takeshi, Takemoto, Seiji, Tada, Tomofumi, Hosono, Hideo

Journal:

Physical Review B

Year:

2017

Language:

english

File:

PDF, 3.66 MB

english, 2017

18

Transition Metal-doped Ru Nanoparticles Loaded on Metal Hydrides for Efficient Ammonia Synthesis from First Principles

Nakao, Takuya, Tada, Tomofumi, Hosono, Hideo

Journal:

The Journal of Physical Chemistry C

Year:

2019

File:

PDF, 746 KB

2019

19

Orbital Views of the Electron Transport in Molecular Devices

Yoshizawa, Kazunari, Tada, Tomofumi, Staykov, Aleksandar

Journal:

Journal of the American Chemical Society

Year:

2008

Language:

english

File:

PDF, 1.78 MB

english, 2008

20

Excess-silver-induced bridge formation in a silver sulfide atomic switch

Wang, Zhongchang, Gu, Tingkun, Tada, Tomofumi, Watanabe, Satoshi

Journal:

Applied Physics Letters

Year:

2008

Language:

english

File:

PDF, 559 KB

english, 2008

21

Predictive Micro-Kinetic Model for Solid Oxide Fuel Cell Patterned Anode: Based on Extensive Literature Survey and Exhaustive Simulations

Liu, Shixue, Muhammad, Arief, Mihara, Kazuya, Ishimoto, Takayoshi, Tada, Tomofumi, Koyama, Michihisa

Journal:

The Journal of Physical Chemistry C

Year:

2017

Language:

english

File:

PDF, 2.92 MB

english, 2017

22

Wire-Length Dependence of the Conductance of Oligo( p -phenylene) Dithiolate Wires: A Consideration from Molecular Orbitals

Kondo, Masakazu, Tada, Tomofumi, Yoshizawa, Kazunari

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 203 KB

english, 2004

23

Theoretical study of four-probe resistance in nanoscale measurements: Monatomic carbon chains and (5,5)-carbon nanotubes

Terasawa, Asako, Tada, Tomofumi, Watanabe, Satoshi

Journal:

Physical Review B

Year:

2009

Language:

english

File:

PDF, 225 KB

english, 2009

24

Computational Study on Stable Structures, Formation Energies, and Conductance of Single Benzene-dithiolate between Two Au Electrodes

Tanibayashi, Satoru, Tada, Tomofumi, Watanabe, Satoshi, Yoshizawa, Kazunari

Journal:

Japanese Journal of Applied Physics

Year:

2005

Language:

english

File:

PDF, 289 KB

english, 2005

25

Theoretical study on temperature effect of electronic structure and spin state in LaCoO3 by using density functional theory

Ishimoto, Takayoshi, Ito, Yumi, Tada, Tomofumi, Oike, Ryo, Nakamura, Takashi, Amezawa, Koji, Koyama, Michihisa

Journal:

Solid State Ionics

Year:

2015

Language:

english

File:

PDF, 1.16 MB

english, 2015

26

AIP Conference Proceedings [Author(s) INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2016 (ICCMSE 2016) - Athens, Greece (17–20 March 2016)] - One-hundred-nm-scale electronic structure and transport calculations of organic polymers on the K computer

Imachi, Hiroto, Yokoyama, Seiya, Kaji, Takami, Abe, Yukiya, Tada, Tomofumi, Hoshi, Takeo

Year:

2016

Language:

english

File:

PDF, 3.62 MB

english, 2016

27

Molecular orbital concept on spin-flip transport in molecular junctions

Tomofumi Tada, Takahiro Yamamoto, Satoshi Watanabe

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2011

Language:

english

File:

PDF, 842 KB

english, 2011

28

A Stable, Soluble, and Crystalline Supramolecular System with a Triplet Ground State

Futagoishi, Tsukasa, Aharen, Tomoko, Kato, Tatsuhisa, Kato, Azusa, Ihara, Toshiyuki, Tada, Tomofumi, Murata, Michihisa, Wakamiya, Atsushi, Kageyama, Hiroshi, Kanemitsu, Yoshihiko, Murata, Yasujiro

Journal:

Angewandte Chemie International Edition

Year:

2017

Language:

english

File:

PDF, 1.62 MB

english, 2017

29

Anionic Stannaferrocene and its Unique Electronic State

Saito, Masaichi, Matsunaga, Naoki, Hamada, Jumpei, Furukawa, Shunsuke, Tada, Tomofumi, Herber, Rolfe H.

Journal:

Chemistry Letters

Year:

2018

Language:

english

File:

PDF, 262 KB

english, 2018

30

First-Principles Study of Dopant Effect on Hydrogen Oxidation in Anode of Solid Oxide Fuel Cell

Iskandarov, Albert M, Tada, Tomofumi

Journal:

ECS Transactions

Year:

2017

Language:

english

File:

PDF, 257 KB

english, 2017

31

High Electron Density on Ru in Intermetallic YRu 2 : The Application to Catalyst for Ammonia Synthesis

Ogawa, Takaya, Kobayashi, Yasukazu, Mizoguchi, Hiroshi, Kitano, Masaaki, Abe, Hitoshi, Tada, Tomofumi, Toda, Yoshitake, Niwa, Yasuhiro, Hosono, Hideo

Journal:

The Journal of Physical Chemistry C

Year:

2018

Language:

english

File:

PDF, 1.19 MB

english, 2018

32

Electron Transport through Single Molecules Comprising Aromatic Stacks Enclosed in Self-Assembled Cages

Dr. Manabu Kiguchi, Takuya Takahashi, Yuta Takahashi, Dr. Yoshihiro Yamauchi, Dr. Takashi Murase, Prof. Dr. Makoto Fujita, Dr. Tomofumi Tada, Prof. Dr. Satoshi Watanabe

Journal:

Angewandte Chemie

Year:

2011

Language:

english

File:

PDF, 890 KB

english, 2011

33

Theoretical analysis of space charge layer formation at metal/ionic conductor interfaces

Shusuke Kasamatsu, Tomofumi Tada, Satoshi Watanabe

Journal:

Solid State Ionics

Year:

2011

Language:

english

File:

PDF, 636 KB

english, 2011

34

Migration of Ag in low-temperature Ag[sub 2]S from first principles

Wang, Zhongchang, Gu, Tingkun, Kadohira, Takuya, Tada, Tomofumi, Watanabe, Satoshi

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 806 KB

english, 2008

35

Comparative Study of Charged and Neutral Oxygen Vacancies in Cubic Zirconia from First Principles

Kasamatsu, Shusuke, Tada, Tomofumi, Watanabe, Satoshi

Journal:

Applied Physics Express

Year:

2009

Language:

english

File:

PDF, 924 KB

english, 2009

36

Difficulty of carrier generation in orthorhombic PbO

Liao, Min, Takemoto, Seiji, Xiao, Zewen, Toda, Yoshitake, Tada, Tomofumi, Ueda, Shigenori, Kamiya, Toshio, Hosono, Hideo

Journal:

Journal of Applied Physics

Year:

2016

Language:

english

File:

PDF, 1.73 MB

english, 2016

37

Ring shape-dependent self-sorting of pillar[n]arenes assembled on a surface

Ogoshi, Tomoki, Takashima, Shu, Inada, Natsumi, Asakawa, Hitoshi, Fukuma, Takeshi, Shoji, Yoshiaki, Kajitani, Takashi, Fukushima, Takanori, Tada, Tomofumi, Dotera, Tomonori, Kakuta, Takahiro, Yamagish

Journal:

Communications Chemistry

Year:

2018

Language:

english

File:

PDF, 2.24 MB

english, 2018

38

Innentitelbild: Electron Transport through Single Molecules Comprising Aromatic Stacks Enclosed in Self-Assembled Cages (Angew. Chem. 25/2011)

Dr. Manabu Kiguchi, Takuya Takahashi, Yuta Takahashi, Dr. Yoshihiro Yamauchi, Dr. Takashi Murase, Prof. Dr. Makoto Fujita, Dr. Tomofumi Tada, Prof. Dr. Satoshi Watanabe

Journal:

Angewandte Chemie

Year:

2011

Language:

german

File:

PDF, 503 KB

german, 2011

39

Conductive Path Formation in the Ta 2 O 5 Atomic Switch: First-Principles Analyses

Gu, Tingkun, Tada, Tomofumi, Watanabe, Satoshi

Journal:

Year:

2010

Language:

english

File:

PDF, 3.12 MB

english, 2010

40

Tight-Binding Analysis of Surface Electronic Conduction Measured with Micro-Multipoint Scanning Tunneling Microscopy Probes

Suzuki, Ryoji, Noda, Masashi, Tada, Tomofumi, Watanabe, Satoshi

Journal:

Japanese Journal of Applied Physics

Year:

2006

Language:

english

File:

PDF, 178 KB

english, 2006

41

Essential role of hydride ion in ruthenium-based ammonia synthesis catalysts

Kitano, Masaaki, Inoue, Yasunori, Ishikawa, Hiroki, Yamagata, Kyosuke, Nakao, Takuya, Tada, Tomofumi, Matsuishi, Satoru, Yokoyama, Toshiharu, Hara, Michikazu, Hosono, Hideo

Journal:

Chemical Science

Year:

2016

Language:

english

File:

PDF, 760 KB

english, 2016

42

First-principles simulations on bulk Ta2O5 and Cu/Ta2O5/Pt heterojunction: Electronic structures and transport properties

Gu, Tingkun, Wang, Zhongchang, Tada, Tomofumi, Watanabe, Satoshi

Journal:

Journal of Applied Physics

Year:

2009

Language:

english

File:

PDF, 2.01 MB

english, 2009

43

Highly Conductive [3× n ] Gold-Ion Clusters Enclosed within Self-Assembled Cages

Kiguchi, Manabu, Inatomi, Junichi, Takahashi, Yuuta, Tanaka, Ryota, Osuga, Takafumi, Murase, Takashi, Fujita, Makoto, Tada, Tomofumi, Watanabe, Satoshi

Journal:

Angewandte Chemie International Edition

Year:

2013

Language:

english

File:

PDF, 1.47 MB

english, 2013

44

Water Durable Electride Y 5 Si 3 : Electronic Structure and Catalytic Activity for Ammonia Synthesis

Lu, Yangfan, Li, Jiang, Tada, Tomofumi, Toda, Yoshitake, Ueda, Shigenori, Yokoyama, Toshiharu, Kitano, Masaaki, Hosono, Hideo

Journal:

Journal of the American Chemical Society

Year:

2016

Language:

english

File:

PDF, 1.42 MB

english, 2016

45

First-Principles Study of the Adsorption Behavior of Triptycene Molecular Tripods on Au(111): Site-Selectivity and Unambiguous Molecular Orientation

Tada, Tomofumi, Ishiwari, Fumitaka, Shoji, Yoshiaki, Fukushima, Takanori

Journal:

The Journal of Physical Chemistry C

Year:

2019

File:

PDF, 657 KB

2019

46

Effects of Molecular Dynamics on Electrical Conductance of Single Molecular Junction in Aqueous Solution: First Principles Calculations

Tawara, Arihiro, Tada, Tomofumi, Watanabe, Satoshi

Journal:

e-Journal of Surface Science and Nanotechnology

Year:

2010

Language:

english

File:

PDF, 2.91 MB

english, 2010

47

Chemically Softened Boundary of Metal/Vacuum/Solid-Electrolyte from First Principles

Tada, Tomofumi, Watanabe, Satoshi

Journal:

The Journal of Physical Chemistry C

Year:

2009

Language:

english

File:

PDF, 2.47 MB

english, 2009

48

Quantum Transport Effects in Nanosized Graphite Sheets. II. Enhanced Transport Effects by Heteroatoms

Tada, Tomofumi, Yoshizawa, Kazunari

Journal:

Journal of Physical Chemistry B

Year:

2003

Language:

english

File:

PDF, 180 KB

english, 2003

49

Correction: Essential role of hydride ion in ruthenium-based ammonia synthesis catalysts

Kitano, Masaaki, Inoue, Yasunori, Ishikawa, Hiroki, Yamagata, Kyosuke, Nakao, Takuya, Tada, Tomofumi, Matsuishi, Satoru, Yokoyama, Toshiharu, Hara, Michikazu, Hosono, Hideo

Journal:

Chemical Science

Year:

2016

Language:

english

File:

PDF, 142 KB

english, 2016

50

Triphosphasumanene Trisulfide: High Out-of-Plane Anisotropy and Janus-Type π-Surfaces

Furukawa, Shunsuke, Suda, Yuki, Kobayashi, Junji, Kawashima, Takayuki, Tada, Tomofumi, Fujii, Shintaro, Kiguchi, Manabu, Saito, Masaichi

Journal:

Journal of the American Chemical Society

Year:

2017

Language:

english

File:

PDF, 3.49 MB

english, 2017

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