@article{daubert_afroz_borodin_seo_boyle_henderson_2022, title={Solvate Structures and Computational/Spectroscopic Characterization of LiClO4 Electrolytes}, ISSN={["1932-7455"]}, DOI={10.1021/acs.jpcc.2c03805}, abstractNote={A Raman spectral evaluation of numerous crystalline solvates with lithium perchlorate (LiClO4) has been conducted over a wide temperature range. Two new solvate crystal structures─(PMDETA)1:LiClO4 and (THF)1:LiClO4 with N,N,N′,N″,N″-pentamethyldiethylenetriamine and tetrahydrofuran─have been determined to aid in this study. With a help of density functional theory (DFT) and molecular dynamics (MD) simulations, the spectroscopic data have been correlated with varying modes of ClO4–···Li+ cation coordination within the solvate structures to create a characterization tool to facilitate the Raman band assignments for the determination of ionic association interactions within solid and liquid electrolytes containing LiClO4. This study demonstrates that many of the spectroscopic evaluation conclusions reported in the scientific literature for LiClO4-based electrolytes are inaccurate.}, journal={JOURNAL OF PHYSICAL CHEMISTRY C}, author={Daubert, James S. and Afroz, Taliman and Borodin, Oleg and Seo, Daniel M. and Boyle, Paul D. and Henderson, Wesley A.}, year={2022}, month={Aug} }
 @article{daubert_hill_gotsch_gremaud_ovental_williams_oldham_parsons_2017, title={Corrosion Protection of Copper Using Al2O3, TiO2, ZnO, HfO2, and ZrO2 Atomic Layer Deposition}, volume={9}, ISSN={["1944-8244"]}, DOI={10.1021/acsami.6b13571}, abstractNote={Atomic layer deposition (ALD) is a viable means to add corrosion protection to copper metal. Ultrathin films of Al2O3, TiO2, ZnO, HfO2, and ZrO2 were deposited on copper metal using ALD, and their corrosion protection properties were measured using electrochemical impedance spectroscopy (EIS) and linear sweep voltammetry (LSV). Analysis of ∼50 nm thick films of each metal oxide demonstrated low electrochemical porosity and provided enhanced corrosion protection from aqueous NaCl solution. The surface pretreatment and roughness was found to affect the extent of the corrosion protection. Films of Al2O3 or HfO2 provided the highest level of initial corrosion protection, but films of HfO2 exhibited the best coating quality after extended exposure. This is the first reported instance of using ultrathin films of HfO2 or ZrO2 produced with ALD for corrosion protection, and both are promising materials for corrosion protection.}, number={4}, journal={ACS APPLIED MATERIALS & INTERFACES}, author={Daubert, James S. and Hill, Grant T. and Gotsch, Hannah N. and Gremaud, Antoine P. and Ovental, Jennifer S. and Williams, Philip S. and Oldham, Christopher J. and Parsons, Gregory N.}, year={2017}, month={Feb}, pages={4192–4201} }
 @article{daubert_wang_ovental_barton_rajagopalan_augustyn_parsons_2017, title={Intrinsic limitations of atomic layer deposition for pseudocapacitive metal oxides in porous electrochemical capacitor electrodes}, volume={5}, ISSN={["2050-7496"]}, url={https://doi.org/10.1039/C7TA02719B}, DOI={10.1039/c7ta02719b}, abstractNote={This work highlights the intrinsic capabilities and limitations of coating microporous materials using atomic layer deposition (ALD).}, number={25}, journal={JOURNAL OF MATERIALS CHEMISTRY A}, publisher={Royal Society of Chemistry (RSC)}, author={Daubert, James S. and Wang, Ruocun and Ovental, Jennifer S. and Barton, Heather F. and Rajagopalan, Ramakrishnan and Augustyn, Veronica and Parsons, Gregory N.}, year={2017}, month={Jul}, pages={13086–13097} }
 @article{daubert_lewis_gotsch_mundy_monroe_dickey_losego_parsons_2015, title={Effect of Meso- and Micro-Porosity in Carbon Electrodes on Atomic Layer Deposition of Pseudocapacitive V2O5 for High Performance Supercapacitors}, volume={27}, ISSN={0897-4756 1520-5002}, url={http://dx.doi.org/10.1021/acs.chemmater.5b01602}, DOI={10.1021/acs.chemmater.5b01602}, abstractNote={Atomic layer deposition (ALD) of vanadium oxide is a viable means to add pseudocapacitive layers to porous carbon electrodes. Two commercial activated carbon materials with different surface areas and pore structures were acid treated and coated by V2O5 ALD using vanadium triisopropoxide and water at 150 °C. The V2O5 ALD process was characterized at various temperatures to confirm saturated ALD growth conditions. Capacitance and electrochemical impedance analysis of subsequently constructed electrochemical capacitors (ECs) showed improved charge storage for the ALD coated electrodes, but the extent of improvement depended on initial pore structure. The ALD of V2O5 onto mesoporous carbon increased the capacitance by up to 46% after 75 ALD cycles and obtained a maximum pseudocapacitance of 540 F/g(V2O5) after 25 ALD cycles, while maintaining low electrical resistance, high columbic efficiency, and a high cycle life. However, adding V2O5 ALD to microporous carbons with pore diameters of <11 A showed far less...}, number={19}, journal={Chemistry of Materials}, publisher={American Chemical Society (ACS)}, author={Daubert, James S. and Lewis, Neal P. and Gotsch, Hannah N. and Mundy, J. Zachary and Monroe, David N. and Dickey, Elizabeth C. and Losego, Mark D. and Parsons, Gregory N.}, year={2015}, month={Sep}, pages={6524–6534} }
 @article{borodin_han_daubert_seo_yun_henderson_2015, title={Electrolyte solvation and ionic association VI. acetonitrile-lithium salt mixtures: Highly associated salts revisited}, volume={162}, number={4}, journal={Journal of the Electrochemical Society}, author={Borodin, O. and Han, S. D. and Daubert, J. S. and Seo, D. M. and Yun, S. H. and Henderson, W. A.}, year={2015}, pages={A501–510} }
 @article{seo_boyle_sommer_daubert_borodin_henderson_2014, title={Solvate Structures and Spectroscopic Characterization of LiTFSI Electrolytes}, volume={118}, ISSN={["1520-6106"]}, DOI={10.1021/jp505006x}, abstractNote={A Raman spectroscopic evaluation of numerous crystalline solvates with lithium bis(trifluoromethanesulfonyl)imide (LiTFSI or LiN(SO2CF3)2) has been conducted over a wide temperature range. Four new crystalline solvate structures-(PHEN)3:LiTFSI, (2,9-DMPHEN)2:LiTFSI, (G3)1:LiTFSI and (2,6-DMPy)1/2:LiTFSI with phenanthroline, 2,9-dimethyl[1,10]phenanthroline, triglyme, and 2,6-dimethylpyridine, respectively-have been determined to aid in this study. The spectroscopic data have been correlated with varying modes of TFSI(-)···Li(+) cation coordination within the solvate structures to create an electrolyte characterization tool to facilitate the Raman band deconvolution assignments for the determination of ionic association interactions within electrolytes containing LiTFSI. It is found, however, that significant difficulties may be encountered when identifying the distributions of specific forms of TFSI(-) anion coordination present in liquid electrolyte mixtures due to the wide range of TFSI(-)···Li(+) cation interactions possible and the overlap of the corresponding spectroscopic data signatures.}, number={47}, journal={JOURNAL OF PHYSICAL CHEMISTRY B}, publisher={American Chemical Society (ACS)}, author={Seo, Daniel M. and Boyle, Paul D. and Sommer, Roger D. and Daubert, James S. and Borodin, Oleg and Henderson, Wesley A.}, year={2014}, month={Nov}, pages={13601–13608} }