First-principles calculations of X-ray absorption spectra for warm dense methane

Zi Li; Cong Wang; Dafang Li; Wei Kang; Ping Zhang

doi:10.1063/1.4986028

First-principles calculations of X-ray absorption spectra for warm dense methane

Physics of Plasmas ◽

10.1063/1.4986028 ◽

2017 ◽

Vol 24 (9) ◽

pp. 092705

Author(s):

Zi Li ◽

Cong Wang ◽

Dafang Li ◽

Wei Kang ◽

Ping Zhang

Keyword(s):

Absorption Spectra ◽

First Principles ◽

First Principles Calculations ◽

X Ray ◽

X Ray Absorption

Download Full-text

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

Download Full-text

First-Principles Calculations of K-shell X-ray Absorption Spectra for Warm Dense Ammonia

Chinese Physics B ◽

10.1088/1674-1056/abdb1b ◽

2021 ◽

Author(s):

Zi Li ◽

Wei-Jie Li ◽

Cong Wang ◽

Da-fang Li ◽

Wei Kang ◽

...

Keyword(s):

Absorption Spectra ◽

First Principles ◽

First Principles Calculations ◽

X Ray ◽

X Ray Absorption

Download Full-text

First-principles calculations of X-ray absorption spectra at the K-edge of 3d transition metals: an electronic structure analysis of the pre-edge

Physical Chemistry Chemical Physics ◽

10.1039/b926499j ◽

2010 ◽

Vol 12 (21) ◽

pp. 5619 ◽

Cited By ~ 90

Author(s):

Delphine Cabaret ◽

Amélie Bordage ◽

Amélie Juhin ◽

Mounir Arfaoui ◽

Emilie Gaudry

Keyword(s):

Electronic Structure ◽

Transition Metals ◽

Absorption Spectra ◽

Structure Analysis ◽

First Principles ◽

First Principles Calculations ◽

X Ray ◽

X Ray Absorption

Download Full-text

First-principles calculations of K-shell X-ray absorption spectra for warm dense nitrogen

Physics of Plasmas ◽

10.1063/1.4951022 ◽

2016 ◽

Vol 23 (5) ◽

pp. 053304 ◽

Cited By ~ 1

Author(s):

Zi Li ◽

Shen Zhang ◽

Cong Wang ◽

Wei Kang ◽

Ping Zhang

Keyword(s):

Absorption Spectra ◽

First Principles ◽

First Principles Calculations ◽

X Ray ◽

X Ray Absorption

Download Full-text

X-Ray Absorption Spectra of Water from First Principles Calculations

Physical Review Letters ◽

10.1103/physrevlett.96.215502 ◽

2006 ◽

Vol 96 (21) ◽

Cited By ~ 254

Author(s):

David Prendergast ◽

Giulia Galli

Keyword(s):

Absorption Spectra ◽

First Principles ◽

First Principles Calculations ◽

X Ray ◽

X Ray Absorption

Download Full-text

Structure and Bonding in Amorphous Cr1–xCxNanocomposite Thin Films: X-ray Absorption Spectra and First-Principles Calculations

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.6b03608 ◽

2016 ◽

Vol 120 (23) ◽

pp. 12890-12899 ◽

Cited By ~ 13

Author(s):

Weine Olovsson ◽

Björn Alling ◽

Martin Magnuson

Keyword(s):

Thin Films ◽

Absorption Spectra ◽

First Principles ◽

First Principles Calculations ◽

X Ray ◽

Structure And Bonding ◽

X Ray Absorption

Download Full-text

X-ray absorption spectra of graphene from first-principles simulations

Physical Review B ◽

10.1103/physrevb.82.155433 ◽

2010 ◽

Vol 82 (15) ◽

Cited By ~ 58

Author(s):

Weijie Hua ◽

Bin Gao ◽

Shuhua Li ◽

Hans Ågren ◽

Yi Luo

Keyword(s):

Absorption Spectra ◽

First Principles ◽

X Ray ◽

X Ray Absorption

Download Full-text

New Insights on the Reversible Lithiation Mechanism of TiO2(B) by Operando X-ray Absorption Spectroscopy and X-ray Diffraction Assisted by First-Principles Calculations

The Journal of Physical Chemistry C ◽

10.1021/jp507574e ◽

2014 ◽

Vol 118 (47) ◽

pp. 27210-27218 ◽

Cited By ~ 17

Author(s):

Marcus Fehse ◽

Mouna Ben Yahia ◽

Laure Monconduit ◽

Frédéric Lemoigno ◽

Marie-Liesse Doublet ◽

...

Keyword(s):

Absorption Spectroscopy ◽

First Principles ◽

First Principles Calculations ◽

X Ray Diffraction ◽

X Ray ◽

X Ray Absorption

Download Full-text

Iodate in calcite and vaterite: Insights from synchrotron X-ray absorption spectroscopy and first-principles calculations

Geochimica et Cosmochimica Acta ◽

10.1016/j.gca.2016.11.032 ◽

2017 ◽

Vol 198 ◽

pp. 218-228 ◽

Cited By ~ 28

Author(s):

J. Podder ◽

J. Lin ◽

W. Sun ◽

S.M. Botis ◽

J. Tse ◽

...

Keyword(s):

Absorption Spectroscopy ◽

First Principles ◽

First Principles Calculations ◽

X Ray ◽

X Ray Absorption

Download Full-text

Local Environment Analysis of Na Ions in β-Tricalcium Phosphate by X-ray Absorption Near-Edge Structure Measurements and First-Principles Calculations

MATERIALS TRANSACTIONS ◽

10.2320/matertrans.ma201578 ◽

2015 ◽

Vol 56 (9) ◽

pp. 1457-1460

Author(s):

Kazuhiko Kawabata ◽

Tomoyuki Yamamoto ◽

Akihiko Kitada

Keyword(s):

Tricalcium Phosphate ◽

First Principles ◽

Local Environment ◽

First Principles Calculations ◽

Environment Analysis ◽

Edge Structure ◽

X Ray ◽

Beta Tricalcium Phosphate ◽

Na Ions ◽

X Ray Absorption

Download Full-text