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Title: Combining theory and experiment for X-ray absorption spectroscopy and resonant X-ray scattering characterization of polymers

We present that an improved understanding of fundamental chemistry, electronic structure, morphology, and dynamics in polymers and soft materials requires advanced characterization techniques that are amenable to in situ and operando studies. Soft X-ray methods are especially useful in their ability to non-destructively provide information on specific materials or chemical moieties. Analysis of these experiments, which can be very dependent on X-ray energy and polarization, can quickly become complex. Complementary modeling and predictive capabilities are required to properly probe these critical features. Here, we present relevant background on this emerging suite of techniques. Finally, we focus on how the combination of theory and experiment has been applied and can be further developed to drive our understanding of how these methods probe relevant chemistry, structure, and dynamics in soft materials.
Authors:
 [1] ;  [1] ;  [2] ;  [3] ; ORCiD logo [1]
  1. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS)
  2. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS) and The Molecular Foundry
  3. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). The Molecular Foundry
Publication Date:
Grant/Contract Number:
AC02-05CH11231
Type:
Accepted Manuscript
Journal Name:
Polymer
Additional Journal Information:
Journal Volume: 99; Journal ID: ISSN 0032-3861
Publisher:
Elsevier
Research Org:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 36 MATERIALS SCIENCE; Polymer; Resonant scattering; Resonant reflectivity; NEXAFS; XPCS; Simulations; In situ; Operando
OSTI Identifier:
1377472
Alternate Identifier(s):
OSTI ID: 1359788

Su, Gregory M., Cordova, Isvar A., Brady, Michael A., Prendergast, David, and Wang, Cheng. Combining theory and experiment for X-ray absorption spectroscopy and resonant X-ray scattering characterization of polymers. United States: N. p., Web. doi:10.1016/j.polymer.2016.06.068.
Su, Gregory M., Cordova, Isvar A., Brady, Michael A., Prendergast, David, & Wang, Cheng. Combining theory and experiment for X-ray absorption spectroscopy and resonant X-ray scattering characterization of polymers. United States. doi:10.1016/j.polymer.2016.06.068.
Su, Gregory M., Cordova, Isvar A., Brady, Michael A., Prendergast, David, and Wang, Cheng. 2016. "Combining theory and experiment for X-ray absorption spectroscopy and resonant X-ray scattering characterization of polymers". United States. doi:10.1016/j.polymer.2016.06.068. https://www.osti.gov/servlets/purl/1377472.
@article{osti_1377472,
title = {Combining theory and experiment for X-ray absorption spectroscopy and resonant X-ray scattering characterization of polymers},
author = {Su, Gregory M. and Cordova, Isvar A. and Brady, Michael A. and Prendergast, David and Wang, Cheng},
abstractNote = {We present that an improved understanding of fundamental chemistry, electronic structure, morphology, and dynamics in polymers and soft materials requires advanced characterization techniques that are amenable to in situ and operando studies. Soft X-ray methods are especially useful in their ability to non-destructively provide information on specific materials or chemical moieties. Analysis of these experiments, which can be very dependent on X-ray energy and polarization, can quickly become complex. Complementary modeling and predictive capabilities are required to properly probe these critical features. Here, we present relevant background on this emerging suite of techniques. Finally, we focus on how the combination of theory and experiment has been applied and can be further developed to drive our understanding of how these methods probe relevant chemistry, structure, and dynamics in soft materials.},
doi = {10.1016/j.polymer.2016.06.068},
journal = {Polymer},
number = ,
volume = 99,
place = {United States},
year = {2016},
month = {7}
}