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Molecular-Scale Structure of Electrode-Electrolyte Interfaces: The Case of Platinum in Aqueous Sulfuric Acid.

Wu CH, Pascal TA, Baskin A, Wang H, Fang HT, Liu YS, Lu YH, Guo J, Prendergast D, Salmeron MB.

J Am Chem Soc. 2018 Nov 12. doi: 10.1021/jacs.8b09743. [Epub ahead of print]


Financial hardship and risk of suicide among U.S. Army personnel.

Goodin CA, Prendergast DM, Pruitt LD, Smolenski DJ, Wilson NY, Skopp N, Hoyt T.

Psychol Serv. 2018 Oct 25. doi: 10.1037/ser0000201. [Epub ahead of print]


Fundamental understanding of chemical processes in extreme ultraviolet resist materials.

Kostko O, Xu B, Ahmed M, Slaughter DS, Ogletree DF, Closser KD, Prendergast DG, Naulleau P, Olynick DL, Ashby PD, Liu Y, Hinsberg WD, Wallraff GM.

J Chem Phys. 2018 Oct 21;149(15):154305. doi: 10.1063/1.5046521.


Evaluation of three commercial PCR kits for the direct detection of Mycobacterium avium subsp. paratuberculosis (MAP) in bovine faeces.

Prendergast DM, Pearce RA, Yearsley D, Ramovic E, Egan J.

Vet J. 2018 Nov;241:52-57. doi: 10.1016/j.tvjl.2018.09.013. Epub 2018 Sep 27.


Nanostructured Metal Hydrides for Hydrogen Storage.

Schneemann A, White JL, Kang S, Jeong S, Wan LF, Cho ES, Heo TW, Prendergast D, Urban JJ, Wood BC, Allendorf MD, Stavila V.

Chem Rev. 2018 Oct 2. doi: 10.1021/acs.chemrev.8b00313. [Epub ahead of print]


Hybrid DFT investigation of the energetics of Mg ion diffusion in α-MoO3.

Barnes TA, Wan LF, Kent PRC, Prendergast D.

Phys Chem Chem Phys. 2018 Oct 3;20(38):24877-24884. doi: 10.1039/c8cp05511d.


Cooperative Gas Adsorption without a Phase Transition in Metal-Organic Frameworks.

Kundu J, Stilck JF, Lee JH, Neaton JB, Prendergast D, Whitelam S.

Phys Rev Lett. 2018 Jul 6;121(1):015701. doi: 10.1103/PhysRevLett.121.015701.


Solution-Based, Template-Assisted Realization of Large-Scale Graphitic ZnO.

Tom KB, Lin S, Wan LF, Wang J, Ahlm N, N'Diaye AT, Bustillo K, Huang J, Liu Y, Lou S, Chen R, Yan S, Wu H, Jin D, Yuan H, Prendergast D, Yao J.

ACS Nano. 2018 Aug 28;12(8):7554-7561. doi: 10.1021/acsnano.8b03835. Epub 2018 Aug 15.


Mapping DNA damage-dependent genetic interactions in yeast via party mating and barcode fusion genetics.

Díaz-Mejía JJ, Celaj A, Mellor JC, Coté A, Balint A, Ho B, Bansal P, Shaeri F, Gebbia M, Weile J, Verby M, Karkhanina A, Zhang Y, Wong C, Rich J, Prendergast D, Gupta G, Öztürk S, Durocher D, Brown GW, Roth FP.

Mol Syst Biol. 2018 May 28;14(5):e7985. doi: 10.15252/msb.20177985.


Mapping Catalytically Relevant Edge Electronic States of MoS2.

Parija A, Choi YH, Liu Z, Andrews JL, De Jesus LR, Fakra SC, Al-Hashimi M, Batteas JD, Prendergast D, Banerjee S.

ACS Cent Sci. 2018 Apr 25;4(4):493-503. doi: 10.1021/acscentsci.8b00042. Epub 2018 Apr 3.


Corpus callosum shape and morphology in youth across the psychosis Spectrum.

Prendergast DM, Karlsgodt KH, Fales CL, Ardekani BA, Szeszko PR.

Schizophr Res. 2018 Sep;199:266-273. doi: 10.1016/j.schres.2018.04.008. Epub 2018 Apr 13.


Soft X-Ray Second Harmonic Generation as an Interfacial Probe.

Lam RK, Raj SL, Pascal TA, Pemmaraju CD, Foglia L, Simoncig A, Fabris N, Miotti P, Hull CJ, Rizzuto AM, Smith JW, Mincigrucci R, Masciovecchio C, Gessini A, Allaria E, De Ninno G, Diviacco B, Roussel E, Spampinati S, Penco G, Di Mitri S, Trovò M, Danailov M, Christensen ST, Sokaras D, Weng TC, Coreno M, Poletto L, Drisdell WS, Prendergast D, Giannessi L, Principi E, Nordlund D, Saykally RJ, Schwartz CP.

Phys Rev Lett. 2018 Jan 12;120(2):023901. doi: 10.1103/PhysRevLett.120.023901.


Theory-driven design of high-valence metal sites for water oxidation confirmed using in situ soft X-ray absorption.

Zheng X, Zhang B, De Luna P, Liang Y, Comin R, Voznyy O, Han L, García de Arquer FP, Liu M, Dinh CT, Regier T, Dynes JJ, He S, Xin HL, Peng H, Prendergast D, Du X, Sargent EH.

Nat Chem. 2018 Feb;10(2):149-154. doi: 10.1038/nchem.2886. Epub 2017 Nov 20.


Universal Relationship between Molecular Structure and Crystal Structure in Peptoid Polymers and Prevalence of the cis Backbone Conformation.

Greer DR, Stolberg MA, Kundu J, Spencer RK, Pascal T, Prendergast D, Balsara NP, Zuckermann RN.

J Am Chem Soc. 2018 Jan 17;140(2):827-833. doi: 10.1021/jacs.7b11891. Epub 2018 Jan 8.


Strain and Bond Length Dynamics upon Growth and Transfer of Graphene by NEXAFS Spectroscopy from First-Principles and Experiment.

Rojas WY, Winter AD, Grote J, Kim SS, Naik RR, Williams AD, Weiland C, Principe E, Fischer DA, Banerjee S, Prendergast D, Campo EM.

Langmuir. 2018 Jan 30;34(4):1783-1794. doi: 10.1021/acs.langmuir.7b03260. Epub 2018 Jan 18.


Molecular understanding of polyelectrolyte binders that actively regulate ion transport in sulfur cathodes.

Li L, Pascal TA, Connell JG, Fan FY, Meckler SM, Ma L, Chiang YM, Prendergast D, Helms BA.

Nat Commun. 2017 Dec 22;8(1):2277. doi: 10.1038/s41467-017-02410-6.


Divergent Patterns of Mitochondrial and Nuclear Ancestry Are Associated with the Risk for Preterm Birth.

Crawford N, Prendergast D, Oehlert JW, Shaw GM, Stevenson DK, Rappaport N, Sirota M, Tishkoff SA, Sondheimer N.

J Pediatr. 2018 Mar;194:40-46.e4. doi: 10.1016/j.jpeds.2017.10.052. Epub 2017 Dec 14.


Integrating Ab Initio Simulations and X-ray Photoelectron Spectroscopy: Toward A Realistic Description of Oxidized Solid/Liquid Interfaces.

Pham TA, Zhang X, Wood BC, Prendergast D, Ptasinska S, Ogitsu T.

J Phys Chem Lett. 2018 Jan 4;9(1):194-203. doi: 10.1021/acs.jpclett.7b01382. Epub 2017 Dec 26.


Coupling between oxygen redox and cation migration explains unusual electrochemistry in lithium-rich layered oxides.

Gent WE, Lim K, Liang Y, Li Q, Barnes T, Ahn SJ, Stone KH, McIntire M, Hong J, Song JH, Li Y, Mehta A, Ermon S, Tyliszczak T, Kilcoyne D, Vine D, Park JH, Doo SK, Toney MF, Yang W, Prendergast D, Chueh WC.

Nat Commun. 2017 Dec 12;8(1):2091. doi: 10.1038/s41467-017-02041-x.


Assessment of Ambient Exposures Firefighters Encounter While at the Fire Station: An Exploratory Study.

Sparer EH, Prendergast DP, Apell JN, Bartzak MR, Wagner GR, Adamkiewicz G, Hart JE, Sorensen G.

J Occup Environ Med. 2017 Oct;59(10):1017-1023. doi: 10.1097/JOM.0000000000001114.


Atomically Thin Interfacial Suboxide Key to Hydrogen Storage Performance Enhancements of Magnesium Nanoparticles Encapsulated in Reduced Graphene Oxide.

Wan LF, Liu YS, Cho ES, Forster JD, Jeong S, Wang HT, Urban JJ, Guo J, Prendergast D.

Nano Lett. 2017 Sep 13;17(9):5540-5545. doi: 10.1021/acs.nanolett.7b02280. Epub 2017 Aug 3.


Erratum: "Electrokinetic detection for x-ray spectra of weakly interacting liquids: n-decane and n-nonane" [J. Chem. Phys. 140, 234202 (2014)].

Lam RK, Shih O, Smith JW, Sheardy AT, Rizzuto AM, Prendergast D, Saykally RJ.

J Chem Phys. 2017 Jun 28;146(24):249902. doi: 10.1063/1.4990053. No abstract available.


Ultrafast carrier thermalization and trapping in silicon-germanium alloy probed by extreme ultraviolet transient absorption spectroscopy.

Zürch M, Chang HT, Kraus PM, Cushing SK, Borja LJ, Gandman A, Kaplan CJ, Oh MH, Prell JS, Prendergast D, Pemmaraju CD, Neumark DM, Leone SR.

Struct Dyn. 2017 Jun 6;4(4):044029. doi: 10.1063/1.4985056. eCollection 2017 Jul.


Evaluation of Multivalent Cation Insertion in Single- and Double-Layered Polymorphs of V2O5.

Parija A, Prendergast D, Banerjee S.

ACS Appl Mater Interfaces. 2017 Jul 19;9(28):23756-23765. doi: 10.1021/acsami.7b05556. Epub 2017 Jul 3.


Direct and simultaneous observation of ultrafast electron and hole dynamics in germanium.

Zürch M, Chang HT, Borja LJ, Kraus PM, Cushing SK, Gandman A, Kaplan CJ, Oh MH, Prell JS, Prendergast D, Pemmaraju CD, Neumark DM, Leone SR.

Nat Commun. 2017 Jun 1;8:15734. doi: 10.1038/ncomms15734.


Chemical and Morphological Inhomogeneity of Aluminum Metal and Oxides from Soft X-ray Spectromicroscopy.

Altman AB, Pemmaraju CD, Alayoglu S, Arnold J, Booth CH, Braun A, Bunker CE, Herve A, Minasian SG, Prendergast D, Shuh DK, Tyliszczak T.

Inorg Chem. 2017 May 15;56(10):5710-5719. doi: 10.1021/acs.inorgchem.7b00280. Epub 2017 May 4.


The importance of inner-shell electronic structure for enhancing the EUV absorption of photoresist materials.

Closser KD, Ogletree DF, Naulleau P, Prendergast D.

J Chem Phys. 2017 Apr 28;146(16):164106. doi: 10.1063/1.4981815.


Femtosecond x-ray spectroscopy of an electrocyclic ring-opening reaction.

Attar AR, Bhattacherjee A, Pemmaraju CD, Schnorr K, Closser KD, Prendergast D, Leone SR.

Science. 2017 Apr 7;356(6333):54-59. doi: 10.1126/science.aaj2198. Epub 2017 Apr 6.


Accurate X-Ray Spectral Predictions: An Advanced Self-Consistent-Field Approach Inspired by Many-Body Perturbation Theory.

Liang Y, Vinson J, Pemmaraju S, Drisdell WS, Shirley EL, Prendergast D.

Phys Rev Lett. 2017 Mar 3;118(9):096402. doi: 10.1103/PhysRevLett.118.096402. Epub 2017 Mar 3.


Liquid Sulfur Impregnation of Microporous Carbon Accelerated by Nanoscale Interfacial Effects.

Pascal TA, Villaluenga I, Wujcik KH, Devaux D, Jiang X, Wang DR, Balsara N, Prendergast D.

Nano Lett. 2017 Apr 12;17(4):2517-2523. doi: 10.1021/acs.nanolett.7b00249. Epub 2017 Mar 17.


Determining crystal phase purity in c-BP through X-ray absorption spectroscopy.

Huber SP, Medvedev VV, Gullikson E, Padavala B, Edgar JH, van de Kruijs RW, Bijkerk F, Prendergast D.

Phys Chem Chem Phys. 2017 Mar 22;19(12):8174-8187. doi: 10.1039/c6cp06967c.


Macromolecular Design Strategies for Preventing Active-Material Crossover in Non-Aqueous All-Organic Redox-Flow Batteries.

Doris SE, Ward AL, Baskin A, Frischmann PD, Gavvalapalli N, Chénard E, Sevov CS, Prendergast D, Moore JS, Helms BA.

Angew Chem Int Ed Engl. 2017 Feb 1;56(6):1595-1599. doi: 10.1002/anie.201610582. Epub 2017 Jan 10.


Direct observation of ring-opening dynamics in strong-field ionized selenophene using femtosecond inner-shell absorption spectroscopy.

Lackner F, Chatterley AS, Pemmaraju CD, Closser KD, Prendergast D, Neumark DM, Leone SR, Gessner O.

J Chem Phys. 2016 Dec 21;145(23):234313. doi: 10.1063/1.4972258.


The Formation Time of Ti-O and Ti-O-Ti Radicals at the n-SrTiO3/Aqueous Interface during Photocatalytic Water Oxidation.

Chen X, Choing SN, Aschaffenburg DJ, Pemmaraju CD, Prendergast D, Cuk T.

J Am Chem Soc. 2017 Feb 8;139(5):1830-1841. doi: 10.1021/jacs.6b09550. Epub 2016 Dec 20.


Thermodynamic origins of the solvent-dependent stability of lithium polysulfides from first principles.

Pascal TA, Wujcik KH, Wang DR, Balsara NP, Prendergast D.

Phys Chem Chem Phys. 2017 Jan 4;19(2):1441-1448. doi: 10.1039/c6cp06889h.


Understanding and Control of Bipolar Self-Doping in Copper Nitride.

Fioretti AN, Schwartz CP, Vinson J, Nordlund D, Prendergast D, Tamboli AC, Caskey CM, Tuomisto F, Linez F, Christensen ST, Toberer ES, Lany S, Zakutayev A.

J Appl Phys. 2016 May 14;119(18). pii: 181508. Epub 2016 May 5.


Selective gas capture via kinetic trapping.

Kundu J, Pascal T, Prendergast D, Whitelam S.

Phys Chem Chem Phys. 2016 Aug 21;18(31):21760-6. doi: 10.1039/c6cp03940e. Epub 2016 Jul 20.


Mapping polaronic states and lithiation gradients in individual V2O5 nanowires.

De Jesus LR, Horrocks GA, Liang Y, Parija A, Jaye C, Wangoh L, Wang J, Fischer DA, Piper LF, Prendergast D, Banerjee S.

Nat Commun. 2016 Jun 28;7:12022. doi: 10.1038/ncomms12022.


Revealing electronic structure changes in Chevrel phase cathodes upon Mg insertion using X-ray absorption spectroscopy.

Wan LF, Wright J, Perdue BR, Fister TT, Kim S, Apblett CA, Prendergast D.

Phys Chem Chem Phys. 2016 Jun 29;18(26):17326-9. doi: 10.1039/c6cp02412b.


Detecting the oxyl radical of photocatalytic water oxidation at an n-SrTiO3/aqueous interface through its subsurface vibration.

Herlihy DM, Waegele MM, Chen X, Pemmaraju CD, Prendergast D, Cuk T.

Nat Chem. 2016 Jun;8(6):549-55. doi: 10.1038/nchem.2497. Epub 2016 Apr 25.


Synthesis of a mixed-valent tin nitride and considerations of its possible crystal structures.

Caskey CM, Holder A, Shulda S, Christensen ST, Diercks D, Schwartz CP, Biagioni D, Nordlund D, Kukliansky A, Natan A, Prendergast D, Orvananos B, Sun W, Zhang X, Ceder G, Ginley DS, Tumas W, Perkins JD, Stevanovic V, Pylypenko S, Lany S, Richards RM, Zakutayev A.

J Chem Phys. 2016 Apr 14;144(14):144201. doi: 10.1063/1.4945561.


Measurement of Electron-Ion Relaxation in Warm Dense Copper.

Cho BI, Ogitsu T, Engelhorn K, Correa AA, Ping Y, Lee JW, Bae LJ, Prendergast D, Falcone RW, Heimann PA.

Sci Rep. 2016 Jan 6;6:18843. doi: 10.1038/srep18843.


Chemically directing d-block heterometallics to nanocrystal surfaces as molecular beacons of surface structure.

Rosen EL, Gilmore K, Sawvel AM, Hammack AT, Doris SE, Aloni S, Altoe V, Nordlund D, Weng TC, Sokaras D, Cohen BE, Urban JJ, Ogletree DF, Milliron DJ, Prendergast D, Helms BA.

Chem Sci. 2015 Nov 1;6(11):6295-6304. doi: 10.1039/c5sc01474c. Epub 2015 Jul 28.


Communication: On the difficulty of reproducibly measuring PbCl2 X-ray absorption spectra.

Schwartz CP, Prendergast D.

J Chem Phys. 2015 Sep 21;143(11):111102. doi: 10.1063/1.4931404.


Properties of aqueous nitrate and nitrite from x-ray absorption spectroscopy.

Smith JW, Lam RK, Shih O, Rizzuto AM, Prendergast D, Saykally RJ.

J Chem Phys. 2015 Aug 28;143(8):084503. doi: 10.1063/1.4928867.


Re-examining the Chevrel phase Mo6S8 cathode for Mg intercalation from an electronic structure perspective.

Thöle F, Wan LF, Prendergast D.

Phys Chem Chem Phys. 2015 Sep 21;17(35):22548-51. doi: 10.1039/c5cp03046c. Epub 2015 Aug 18.


Atomic-Scale Perspective of Ultrafast Charge Transfer at a Dye-Semiconductor Interface.

Siefermann KR, Pemmaraju CD, Neppl S, Shavorskiy A, Cordones AA, Vura-Weis J, Slaughter DS, Sturm FP, Weise F, Bluhm H, Strader ML, Cho H, Lin MF, Bacellar C, Khurmi C, Guo J, Coslovich G, Robinson JS, Kaindl RA, Schoenlein RW, Belkacem A, Neumark DM, Leone SR, Nordlund D, Ogasawara H, Krupin O, Turner JJ, Schlotter WF, Holmes MR, Messerschmidt M, Minitti MP, Gul S, Zhang JZ, Huse N, Prendergast D, Gessner O.

J Phys Chem Lett. 2014 Aug 7;5(15):2753-9. doi: 10.1021/jz501264x. Epub 2014 Jul 29.


Theory and X-ray Absorption Spectroscopy for Aluminum Coordination Complexes – Al K-Edge Studies of Charge and Bonding in (BDI)Al, (BDI)AlR2, and (BDI)AlX2 Complexes.

Altman AB, Pemmaraju CD, Camp C, Arnold J, Minasian SG, Prendergast D, Shuh DK, Tyliszczak T.

J Am Chem Soc. 2015 Aug 19;137(32):10304-16. doi: 10.1021/jacs.5b05854. Epub 2015 Aug 10.


Polysulfide-Blocking Microporous Polymer Membrane Tailored for Hybrid Li-Sulfur Flow Batteries.

Li C, Ward AL, Doris SE, Pascal TA, Prendergast D, Helms BA.

Nano Lett. 2015 Sep 9;15(9):5724-9. doi: 10.1021/acs.nanolett.5b02078. Epub 2015 Aug 6.


Mitochondria-acting hexokinase II peptides carried by short-length carbon nanotubes with increased cellular uptake, endosomal evasion, and enhanced bioactivity against cancer cells.

Yoong SL, Lau WL, Liu AY, Prendergast D, Ho HK, Yu VC, Lee C, Ang WH, Pastorin G.

Nanoscale. 2015 Sep 7;7(33):13907-17. doi: 10.1039/c5nr00980d. Epub 2015 Jul 29.


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