Electronic Structure of Pure and N-Doped TiO2 Nanocrystals by Electrochemical Experiments and First Principles Calculations

Francesca Spadavecchia; Giuseppe Cappelletti; Silvia Ardizzone; Michele Ceotto; Luigi Falciola

doi:10.1021/jp2003968

Electronic Structure of Pure and N-Doped TiO2 Nanocrystals by Electrochemical Experiments and First Principles Calculations

The Journal of Physical Chemistry C ◽

10.1021/jp2003968 ◽

2011 ◽

Vol 115 (14) ◽

pp. 6381-6391 ◽

Cited By ~ 97

Author(s):

Francesca Spadavecchia ◽

Giuseppe Cappelletti ◽

Silvia Ardizzone ◽

Michele Ceotto ◽

Luigi Falciola

Keyword(s):

Electronic Structure ◽

First Principles ◽

First Principles Calculations ◽

Tio2 Nanocrystals ◽

Doped Tio2

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Electronic Structure and X-ray Absorption Spectra of Rutile TiO2 Using First-Principles Calculations

Korean Journal of Metals and Materials ◽

10.3365/kjmm.2014.52.12.1025 ◽

2014 ◽

Vol 52 (12) ◽

pp. 1025-1029

Author(s):

Min-Wook Oh ◽

Tae-Gu Kang ◽

Byungki Ryu ◽

Ji Eun Lee ◽

Sung-Jae Joo ◽

...

Keyword(s):

Electronic Structure ◽

Absorption Spectra ◽

First Principles ◽

First Principles Calculations ◽

Rutile Tio2 ◽

X Ray ◽

X Ray Absorption

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Electronic structure and optical properties of plutonium dioxide from first-principles calculations

Rare Metals ◽

10.1007/s12598-014-0280-9 ◽

2014 ◽

Vol 35 (8) ◽

pp. 643-648 ◽

Cited By ~ 5

Author(s):

Jun Chen ◽

Da-qiao Meng ◽

Qiu-Yun Chen ◽

Wen-Hua Luo

Keyword(s):

Optical Properties ◽

Electronic Structure ◽

First Principles ◽

First Principles Calculations ◽

Plutonium Dioxide

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Electronic structure modulation of NiS2 by transition metal doping for accelerating the hydrogen evolution reaction

Journal of Materials Chemistry A ◽

10.1039/c8ta11286j ◽

2019 ◽

Vol 7 (9) ◽

pp. 4971-4976 ◽

Cited By ~ 21

Author(s):

Tongtong Wang ◽

Xiaosong Guo ◽

Jingyan Zhang ◽

Wen Xiao ◽

Pinxian Xi ◽

...

Keyword(s):

Electronic Structure ◽

Catalytic Activity ◽

Transition Metal ◽

Hydrogen Evolution Reaction ◽

Systematic Study ◽

First Principles ◽

Transition Metal Doping ◽

First Principles Calculations ◽

Structure Modulation ◽

Metal Doped

We give a systematic study of the HER catalytic activity of transition metal doped NiS2 by first principles calculations and experiments.

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Electronic Structure and Optical Properties of a Mn-Doped InSe/WSe2 van der Walls Heterostructure: First Principles Calculations

Journal of the Korean Physical Society ◽

10.3938/jkps.77.587 ◽

2020 ◽

Vol 77 (7) ◽

pp. 587-591

Author(s):

Rundong Liang ◽

Xiuwen Zhao ◽

Guichao Hu ◽

Weiwei Yue ◽

Xiaobo Yuan ◽

...

Keyword(s):

Optical Properties ◽

Electronic Structure ◽

First Principles ◽

First Principles Calculations ◽

Mn Doped

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The electronic structure of defect chalcopyrite CdGa2Se4 as determined from first principles calculations and X-ray spectroscopy studies

Journal of Structural Chemistry ◽

10.1134/s0022476615030154 ◽

2015 ◽

Vol 56 (3) ◽

pp. 492-496 ◽

Cited By ~ 3

Author(s):

A. A. Lavrentyev ◽

B. V. Gabrelian ◽

P. N. Shkumat ◽

I. Ya. Nikiforov ◽

O. V. Parasyuk ◽

...

Keyword(s):

Electronic Structure ◽

First Principles ◽

First Principles Calculations ◽

X Ray ◽

Spectroscopy Studies

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Electronic structure and magnetism in the frustrated antiferromagnetLiCrO2: First-principles calculations

Physical Review B ◽

10.1103/physrevb.75.094407 ◽

2007 ◽

Vol 75 (9) ◽

Cited By ~ 31

Author(s):

I. I. Mazin

Keyword(s):

Electronic Structure ◽

First Principles ◽

First Principles Calculations

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First-Principles Calculations of the Atomic and Electronic Structure of CaTiO3(111) Surfaces

Ferroelectrics ◽

10.1080/00150193.2011.623620 ◽

2011 ◽

Vol 424 (1) ◽

pp. 1-6 ◽

Cited By ~ 10

Author(s):

R. I. Eglitis

Keyword(s):

Electronic Structure ◽

First Principles ◽

First Principles Calculations ◽

Atomic And Electronic Structure

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First-principles calculations to investigate electronic structure and transport properties of CrC monolayers: A new horizon for spintronic application

Materials Science and Engineering B ◽

10.1016/j.mseb.2021.115379 ◽

2021 ◽

Vol 272 ◽

pp. 115379

Author(s):

Atish Ghosh ◽

Moumita Kar ◽

Chiranjib Majumder ◽

Pranab Sarkar

Keyword(s):

Electronic Structure ◽

Transport Properties ◽

First Principles ◽

First Principles Calculations ◽

Spintronic Application

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Contribution of interlayer hybridization to the electronic structure in iron pnictides: a study of EELS and first-principles calculations

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/25/11/115503 ◽

2013 ◽

Vol 25 (11) ◽

pp. 115503 ◽

Cited By ~ 1

Author(s):

Chao Ma ◽

Huaixin Yang ◽

Huanfang Tian ◽

Honglong Shi ◽

Zhiwei Wang ◽

...

Keyword(s):

Electronic Structure ◽

First Principles ◽

Iron Pnictides ◽

First Principles Calculations

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Electronic structure of Mg2Si by combining electron diffraction and first-principles calculations

Acta Materialia ◽

10.1016/j.actamat.2011.11.006 ◽

2012 ◽

Vol 60 (3) ◽

pp. 972-976 ◽

Cited By ~ 6

Author(s):

K. Valset ◽

E. Flage-Larsen ◽

P. Stadelmann ◽

J. Taftø

Keyword(s):

Electronic Structure ◽

Electron Diffraction ◽

First Principles ◽

First Principles Calculations

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