First-Principles Predictions of Near-Edge X-ray Absorption Fine Structure Spectra of Semiconducting Polymers

Gregory M. Su; Shrayesh N. Patel; C. D. Pemmaraju; David Prendergast; Michael L. Chabinyc

doi:10.1021/acs.jpcc.7b01353

First-Principles Predictions of Near-Edge X-ray Absorption Fine Structure Spectra of Semiconducting Polymers

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.7b01353 ◽

2017 ◽

Vol 121 (17) ◽

pp. 9142-9152 ◽

Cited By ~ 9

Author(s):

Gregory M. Su ◽

Shrayesh N. Patel ◽

C. D. Pemmaraju ◽

David Prendergast ◽

Michael L. Chabinyc

Keyword(s):

Fine Structure ◽

First Principles ◽

Semiconducting Polymers ◽

X Ray ◽

Absorption Fine ◽

X Ray Absorption

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Ferroelectric distortion inSrTiO3thin films onSi(001)by x-ray absorption fine structure spectroscopy: Experiment and first-principles calculations

Physical Review B ◽

10.1103/physrevb.75.140103 ◽

2007 ◽

Vol 75 (14) ◽

Cited By ~ 51

Author(s):

J. C. Woicik ◽

E. L. Shirley ◽

C. S. Hellberg ◽

K. E. Andersen ◽

S. Sambasivan ◽

...

Keyword(s):

Fine Structure ◽

First Principles ◽

First Principles Calculations ◽

X Ray ◽

Absorption Fine ◽

Spectroscopy Experiment ◽

X Ray Absorption

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Characterization of pentavalent and hexavalent americium in nitric acid using X-ray absorption fine structure spectroscopy and first-principles modeling

Journal of Nuclear Energy Science & Power Generation Technology ◽

10.4172/2325-9809-c1-004 ◽

2017 ◽

Vol 06 (04) ◽

Author(s):

Catherine L Riddle

Keyword(s):

Fine Structure ◽

Nitric Acid ◽

First Principles ◽

X Ray ◽

Absorption Fine ◽

X Ray Absorption

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Nanoscale disorder and local electronic properties ofCaCu3Ti4O12: An integrated study of electron, neutron, and x-ray diffraction, x-ray absorption fine structure, and first-principles calculations

Physical Review B ◽

10.1103/physrevb.81.144203 ◽

2010 ◽

Vol 81 (14) ◽

Cited By ~ 44

Author(s):

Jin-Cheng Zheng ◽

A. I. Frenkel ◽

L. Wu ◽

J. Hanson ◽

W. Ku ◽

...

Keyword(s):

Fine Structure ◽

Electronic Properties ◽

First Principles ◽

First Principles Calculations ◽

X Ray Diffraction ◽

X Ray ◽

Absorption Fine ◽

X Ray Absorption ◽

Integrated Study

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First-Principles Study on the Near-Edge X-ray Absorption Fine Structure Spectroscopy of the Fullerene-Derivative PCBM

Acta Physico-Chimica Sinica ◽

10.3866/pku.whxb201505251 ◽

2015 ◽

Vol 31 (8) ◽

pp. 1483-1488

Author(s):

Yong. MA ◽

◽

Guang-Wei. WANG ◽

Shao-Tao. SUN ◽

Xiu-Neng. SONG ◽

...

Keyword(s):

Fine Structure ◽

First Principles ◽

Fullerene Derivative ◽

X Ray ◽

First Principles Study ◽

Absorption Fine ◽

X Ray Absorption

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Understanding the effect of thionation on naphthalene diimide using first-principles predictions of near-edge x-ray absorption fine structure spectra

The Journal of Chemical Physics ◽

10.1063/1.5084754 ◽

2019 ◽

Vol 150 (10) ◽

pp. 104302 ◽

Cited By ~ 1

Author(s):

Kira Rundel ◽

Yufeng Liang ◽

Adam Welford ◽

David Prendergast ◽

Christopher R. McNeill

Keyword(s):

Fine Structure ◽

First Principles ◽

X Ray ◽

Absorption Fine ◽

Naphthalene Diimide ◽

X Ray Absorption

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Characterization of pentavalent and hexavalent americium complexes in nitric acid using X-ray absorption fine structure spectroscopy and first-principles modeling

Journal of Radioanalytical and Nuclear Chemistry ◽

10.1007/s10967-016-4704-x ◽

2016 ◽

Vol 309 (3) ◽

pp. 1087-1095 ◽

Cited By ~ 6

Author(s):

Catherine Riddle ◽

Kenneth Czerwinski ◽

Eunja Kim ◽

Patricia Paviet ◽

Philippe Weck ◽

...

Keyword(s):

Fine Structure ◽

Nitric Acid ◽

First Principles ◽

X Ray ◽

Absorption Fine ◽

X Ray Absorption

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Electronic structure of pristine and Ni-substituted LaFeO3 from near edge x-ray absorption fine structure experiments and first-principles simulations

Physical Review Research ◽

10.1103/physrevresearch.2.033265 ◽

2020 ◽

Vol 2 (3) ◽

Cited By ~ 1

Author(s):

Iurii Timrov ◽

Piyush Agrawal ◽

Xinyu Zhang ◽

Selma Erat ◽

Riping Liu ◽

...

Keyword(s):

Electronic Structure ◽

Fine Structure ◽

First Principles ◽

X Ray ◽

Absorption Fine ◽

X Ray Absorption

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First-principles calculation and X-ray absorption fine structure analysis of Fe doping mechanism for semi-insulating GaN growth on GaAs substrates

physica status solidi (b) ◽

10.1002/pssb.200674759 ◽

2007 ◽

Vol 244 (6) ◽

pp. 1862-1866 ◽

Cited By ~ 1

Author(s):

R. Togashi ◽

F. Satoh ◽

H. Murakami ◽

J. Iihara ◽

K. Yamaguchi ◽

...

Keyword(s):

Fine Structure ◽

Structure Analysis ◽

First Principles ◽

First Principles Calculation ◽

Fe Doping ◽

X Ray ◽

Absorption Fine ◽

Gaas Substrates ◽

Doping Mechanism ◽

X Ray Absorption

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Local structure ofCuIn3Se5:X-ray absorption fine structure study and first-principles calculations

Physical Review B ◽

10.1103/physrevb.68.054108 ◽

2003 ◽

Vol 68 (5) ◽

Cited By ~ 23

Author(s):

C.-H. Chang ◽

Su-Huai Wei ◽

J. W. Johnson ◽

S. B. Zhang ◽

N. Leyarovska ◽

...

Keyword(s):

Fine Structure ◽

First Principles ◽

Local Structure ◽

Structure Study ◽

First Principles Calculations ◽

X Ray ◽

Absorption Fine ◽

X Ray Absorption

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First-principles calculations of electron-energy-loss near-edge structure and near-edge x-ray-absorption fine structure of BN polytypes using model clusters

Physical Review B ◽

10.1103/physrevb.60.4944 ◽

1999 ◽

Vol 60 (7) ◽

pp. 4944-4951 ◽

Cited By ~ 55

Author(s):

Isao Tanaka ◽

Hiroyuki Araki ◽

Masato Yoshiya ◽

Teruyasu Mizoguchi ◽

Kazuyoshi Ogasawara ◽

...

Keyword(s):

Fine Structure ◽

Energy Loss ◽

Electron Energy ◽

First Principles ◽

First Principles Calculations ◽

Edge Structure ◽

X Ray ◽

Absorption Fine ◽

Electron Energy Loss ◽

X Ray Absorption

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