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2018

Benchmark of ReaxFF force field for subcritical and supercritical water

Manzano, H., Zhang, W., Raju, M., Dolado, J. S., López-Arbeloa, I. & Van Duin, A. C. T., Jun 21 2018, In : Journal of Chemical Physics. 148, 23, 234503.

Research output: Contribution to journalArticle

9 Scopus citations
1 Scopus citations

Bioaccessible selenium sourced from Se-rich mustard cake facilitates protection from TBHP induced cytotoxicity in melanoma cells

Jaiswal, S. K., Prakash, R., Prabhu, K. S. & Tejo Prakash, N., Apr 2018, In : Food and Function. 9, 4, p. 1998-2004 7 p.

Research output: Contribution to journalArticle

Bridging biofuel sustainability indicators and ecosystem services through stakeholder engagement

Dale, V. H., Kline, K. L., Richard, T. L., Karlen, D. L. & Belden, W. W., Jul 2018, In : Biomass and Bioenergy. 114, p. 143-156 14 p.

Research output: Contribution to journalArticle

13 Scopus citations

Calibration and field testing of cavity ring-down laser spectrometers measuring CH4, CO2, and δ13CH4 deployed on towers in the Marcellus Shale region

Miles, N. L., Martins, D. K., Richardson, S. J., Rella, C. W., Arata, C., Lauvaux, T., Davis, K. J., Barkley, Z. R., McKain, K. & Sweeney, C., Mar 5 2018, In : Atmospheric Measurement Techniques. 11, 3, p. 1273-1295 23 p.

Research output: Contribution to journalArticle

3 Scopus citations

Can capacity markets be designed by democracy?

Yoo, K. & Blumsack, S., Mar 21 2018, (Accepted/In press) In : Journal of Regulatory Economics. p. 1-25 25 p.

Research output: Contribution to journalArticle

2 Scopus citations

Carbon Budget of Tidal Wetlands, Estuaries, and Shelf Waters of Eastern North America

Najjar, R. G., Herrmann, M., Alexander, R., Boyer, E. W., Burdige, D. J., Butman, D., Cai, W. J., Canuel, E. A., Chen, R. F., Friedrichs, M. A. M., Feagin, R. A., Griffith, P. C., Hinson, A. L., Holmquist, J. R., Hu, X., Kemp, W. M., Kroeger, K. D., Mannino, A., McCallister, S. L., McGillis, W. R. & 10 others, Mulholland, M. R., Pilskaln, C. H., Salisbury, J., Signorini, S. R., St-Laurent, P., Tian, H., Tzortziou, M., Vlahos, P., Wang, Z. A. & Zimmerman, R. C., Mar 2018, In : Global Biogeochemical Cycles. 32, 3, p. 389-416 28 p.

Research output: Contribution to journalArticle

34 Scopus citations

Carbon storage dynamics of temperate freshwater wetlands in Pennsylvania

Mazurczyk, T. & Brooks, R. P., Oct 1 2018, In : Wetlands Ecology and Management. 26, 5, p. 893-914 22 p.

Research output: Contribution to journalArticle

3 Scopus citations

Carbon structure and resulting graphitizability upon oxygen evolution

Abrahamson, J. P., Jain, A., van Duin, A. C. T. & Vander Wal, R. L., Aug 2018, In : Carbon. 135, p. 171-179 9 p.

Research output: Contribution to journalArticle

9 Scopus citations

Catalysts for nitrogen reduction to ammonia

Foster, S. L., Bakovic, S. I. P., Duda, R. D., Maheshwari, S., Milton, R. D., Minteer, S. D., Janik, M. J., Renner, J. N. & Greenlee, L. F., Jul 1 2018, In : Nature Catalysis. 1, 7, p. 490-500 11 p.

Research output: Contribution to journalArticle

178 Scopus citations

Cathodic Corrosion at the Bismuth-Ionic Liquid Electrolyte Interface under Conditions for CO2 Reduction

Medina-Ramos, J., Zhang, W., Yoon, K., Bai, P., Chemburkar, A., Tang, W., Atifi, A., Lee, S. S., Fister, T. T., Ingram, B. J., Rosenthal, J., Neurock, M., Van Duin, A. C. T. & Fenter, P., Apr 10 2018, In : Chemistry of Materials. 30, 7, p. 2362-2373 12 p.

Research output: Contribution to journalArticle

8 Scopus citations

Changes in parasite traits, rather than intensity, affect the dynamics of infection under external perturbation

Ghosh, S., Ferrari, M. J., Pathak, A. K. & Cattadori, I. M., Jun 2018, In : PLoS computational biology. 14, 6, e1006167.

Research output: Contribution to journalArticle

2 Scopus citations

Characterizing uncertain sea-level rise projections to support investment decisions

Sriver, R. L., Lempert, R. J., Wikman-Svahn, P. & Keller, K., Feb 2018, In : PloS one. 13, 2, e0190641.

Research output: Contribution to journalArticle

12 Scopus citations

Charged Polaron Polaritons in an Organic Semiconductor Microcavity

Cheng, C. Y., Dhanker, R., Gray, C. L., Mukhopadhyay, S., Kennehan, E. R., Asbury, J. B., Sokolov, A. & Giebink, N. C., Jan 3 2018, In : Physical Review Letters. 120, 1, 017402.

Research output: Contribution to journalArticle

7 Scopus citations

Chemical Degradation of Polyacrylamide during Hydraulic Fracturing

Xiong, B., Miller, Z., Roman-White, S., Tasker, T., Farina, B., Piechowicz, B., Burgos, W. D., Joshi, P., Zhu, L., Gorski, C. A., Zydney, A. L. & Kumar, M., Jan 2 2018, In : Environmental Science and Technology. 52, 1, p. 327-336 10 p.

Research output: Contribution to journalArticle

30 Scopus citations

Clay Distribution Patterns Regulate Natural Attenuation of Marcellus Shale Waters in Natural Aquifers

Cai, Z., Wen, H. & Li, L., Sep 20 2018, In : Energy and Fuels. 32, 9, p. 9672-9682 11 p.

Research output: Contribution to journalArticle

1 Scopus citations

CO2 Capacity and Heat of Sorption on a Polyethylenimine-Impregnated Silica under Equilibrium and Transient Sorption Conditions

Wang, L., Kamali Shahri, S. M. & Rioux, R. M., May 31 2018, In : Journal of Physical Chemistry C. 122, 21, p. 11442-11449 8 p.

Research output: Contribution to journalArticle

1 Scopus citations

CO2 hydrogenation to methanol on Pd-Cu bimetallic catalysts: H2/CO2 ratio dependence and surface species

Jiang, X., Wang, X., Nie, X., Koizumi, N., Guo, X. & Song, C., Oct 15 2018, In : Catalysis Today. 316, p. 62-70 9 p.

Research output: Contribution to journalArticle

15 Scopus citations

Cocina cave revisited: Bayesian radiocarbon chronology for the last hunter-gatherers and first farmers in Eastern Iberia

García-Puchol, O., McClure, S. B., Juan-Cabanilles, J., Diez-Castillo, A. A., Bernabeu-Aubán, J., Martí-Oliver, B., Pardo-Gordó, S., Pascual-Benito, J. L., Pérez-Ripoll, M., Molina-Balaguer, L. & Kennett, D. J., Apr 10 2018, In : Quaternary International. 472, p. 259-271 13 p.

Research output: Contribution to journalArticle

10 Scopus citations

Cold Sintered Ceramic Nanocomposites of 2D MXene and Zinc Oxide

Guo, J., Legum, B., Anasori, B., Wang, K., Lelyukh, P., Gogotsi, Y. & Randall, C. A., Aug 9 2018, In : Advanced Materials. 30, 32, 1801846.

Research output: Contribution to journalArticle

36 Scopus citations

Cold sintering and electrical characterization of lead zirconate titanate piezoelectric ceramics

Wang, D., Guo, H., Morandi, C. S., Randall, C. A. & Trolier-McKinstry, S., Jan 1 2018, In : APL Materials. 6, 1, 016101.

Research output: Contribution to journalArticle

26 Scopus citations

Cold sintering approach to fabrication of high rate performance binderless LiFePO4 cathode with high volumetric capacity

Seo, J. H., Verlinde, K., Guo, J., Heidary, D. S. B., Rajagopalan, R., Mallouk, T. E. & Randall, C. A., Mar 15 2018, In : Scripta Materialia. 146, p. 267-271 5 p.

Research output: Contribution to journalArticle

18 Scopus citations

Cold Sintering Na2Mo2O7 Ceramic with Poly(ether imide) (PEI) Polymer to Realize High-Performance Composites and Integrated Multilayer Circuits

Guo, J., Pfeiffenberger, N., Beese, A., Rhoades, A., Gao, L., Baker, A., Wang, K., Bolvari, A. & Randall, C. A., Aug 24 2018, In : ACS Applied Nano Materials. 1, 8, p. 3837-3844 8 p.

Research output: Contribution to journalArticle

9 Scopus citations

Cold Sintering of a Covalently Bonded MoS2/Graphite Composite as a High Capacity Li–Ion Electrode

Nayir, S., Waryoba, D. R., Rajagopalan, R., Arslan, C. & Randall, C. A., Oct 2018, In : ChemNanoMat. 4, 10, p. 1088-1094 7 p.

Research output: Contribution to journalArticle

3 Scopus citations

Complexity of Intercalation in MXenes: Destabilization of Urea by Two-Dimensional Titanium Carbide

Overbury, S. H., Kolesnikov, A. I., Brown, G. M., Zhang, Z., Nair, G. S., Sacci, R. L., Lotfi, R., Van Duin, A. C. T. & Naguib, M., Aug 15 2018, In : Journal of the American Chemical Society. 140, 32, p. 10305-10314 10 p.

Research output: Contribution to journalArticle

18 Scopus citations

Computational investigation of a boundary-layer-ingestion propulsion system

Blumenthal, B. T., Elmiligui, A. A., Geiselhart, K. A., Campbell, R. L., Maughmer, M. D. & Schmitz, S., 2018, In : Journal of Aircraft. 55, 3, p. 1141-1153 13 p.

Research output: Contribution to journalArticle

2 Scopus citations

Conformal coating of amorphous silicon and germanium by high pressure chemical vapor deposition for photovoltaic fabrics

Ji, X., Cheng, H. Y., Grede, A. J., Molina, A., Talreja, D., Mohney, S. E., Giebink, N. C., Badding, J. V. & Gopalan, V., Apr 1 2018, In : APL Materials. 6, 4, 046105.

Research output: Contribution to journalArticle

4 Scopus citations

Continuously Tuning Epitaxial Strains by Thermal Mismatch

Zhang, L., Yuan, Y., Lapano, J., Brahlek, M., Lei, S., Kabius, B., Gopalan, V. & Engel-Herbert, R., Feb 27 2018, In : ACS nano. 12, 2, p. 1306-1312 7 p.

Research output: Contribution to journalArticle

14 Scopus citations

Contrasting energy efficiency in various ceramic sintering processes

Sohrabi Baba Heidary, D., Lanagan, M. & Randall, C. A., Apr 2018, In : Journal of the European Ceramic Society. 38, 4, p. 1018-1029 12 p.

Research output: Contribution to journalArticle

20 Scopus citations

Copper current collectors reduce long-term fouling of air cathodes in microbial fuel cells

Myung, J., Yang, W., Saikaly, P. E. & Logan, B. E., Apr 2018, In : Environmental Science: Water Research and Technology. 4, 4, p. 513-519 7 p.

Research output: Contribution to journalArticle

8 Scopus citations

Creating cross-linked lamellar block copolymer supporting layers for biomimetic membranes

Lang, C., Shen, Y. X., LaNasa, J. A., Ye, D., Song, W., Zimudzi, T., Hickner, M. A., Gomez, E. D., Gomez, E. W., Kumar, M. & Hickey, III, R. J., Jan 1 2018, In : Faraday Discussions. 209, p. 179-191 13 p.

Research output: Contribution to journalArticle

7 Scopus citations
21 Scopus citations

Cytosolic invertases contribute to cellulose biosynthesis and influence carbon partitioning in seedlings of Arabidopsis thaliana

Barnes, W. J. & Anderson, C. T., Jun 2018, In : Plant Journal. 94, 6, p. 956-974 19 p.

Research output: Contribution to journalArticle

12 Scopus citations

Defect Design of Two-Dimensional MoS2 Structures by Using a Graphene Layer and Potato Stamp Concept

Yilmaz, D. E., Lotfi, R., Ashraf, C., Hong, S. & Van Duin, A. C. T., Jun 7 2018, In : Journal of Physical Chemistry C. 122, 22, p. 11911-11917 7 p.

Research output: Contribution to journalArticle

7 Scopus citations

Dehydration prompts increased activity and blood feeding by mosquitoes

Hagan, R. W., Didion, E. M., Rosselot, A. E., Holmes, C. J., Siler, S. C., Rosendale, A. J., Hendershot, J. M., Elliot, K. S. B., Jennings, E. C., Nine, G. A., Perez, P. L., Rizlallah, A. E., Watanabe, M., Romick-Rosendale, L. E., Xiao, Y., Rasgon, J. L. & Benoit, J. B., Dec 1 2018, In : Scientific reports. 8, 1, 6804.

Research output: Contribution to journalArticle

10 Scopus citations

Detection of Nanoscale Structural Defects in Degraded Fe-Doped SrTiO3 by Ultrafast Photoacoustic Waves

Zhang, Y., Kurt, O., Ascienzo, D., Yang, Q., Le, T., Greenbaum, S., Bayer, T. J. M., Randall, C. A. & Ren, Y., Jun 21 2018, In : Journal of Physical Chemistry C. 122, 24, p. 12864-12868 5 p.

Research output: Contribution to journalArticle

4 Scopus citations

Deuterium uptake and sputtering of simultaneous lithiated, boronized, and oxidized carbon surfaces irradiated by low-energy deuterium

Domínguez-Gutiérrez, F. J., Krstić, P. S., Allain, J. P., Bedoya, F., Islam, M. M., Lotfi, R. & Van Duin, A. C. T., May 21 2018, In : Journal of Applied Physics. 123, 19, 195901.

Research output: Contribution to journalArticle

Development and characterization of stable anaerobic thermophilic methanogenic microbiomes fermenting switchgrass at decreasing residence times

Liang, X., Whitham, J. M., Holwerda, E. K., Shao, X., Tian, L., Wu, Y. W., Lombard, V., Henrissat, B., Klingeman, D. M., Yang, Z. K., Podar, M., Richard, T. L., Elkins, J. G., Brown, S. D. & Lynd, L. R., Sep 6 2018, In : Biotechnology for Biofuels. 11, 1, 243.

Research output: Contribution to journalArticle

10 Scopus citations

Development of a Charge-Implicit ReaxFF Potential for Hydrocarbon Systems

Kański, M., Maciazek, D., Postawa, Z., Ashraf, C. M., Van Duin, A. C. T. & Garrison, B. J., Jan 18 2018, In : Journal of Physical Chemistry Letters. 9, 2, p. 359-363 5 p.

Research output: Contribution to journalArticle

8 Scopus citations

Development of a ReaxFF Force Field for Cu/S/C/H and Reactive MD Simulations of Methyl Thiolate Decomposition on Cu (100)

Yeon, J., Adams, H. L., Junkermeier, C. E., Van Duin, A. C. T., Tysoe, W. T. & Martini, A., Jan 18 2018, In : Journal of Physical Chemistry B. 122, 2, p. 888-896 9 p.

Research output: Contribution to journalArticle

9 Scopus citations

Development of a ReaxFF reactive force field for lithium ion conducting solid electrolyte Li1+: xAlxTi2- x(PO4)3 (LATP)

Shin, Y. K., Sengul, M. Y., Jonayat, A. S. M., Lee, W., Gomez, E. D., Randall, C. A. & Van Duin, A. C. T., Jan 1 2018, In : Physical Chemistry Chemical Physics. 20, 34, p. 22134-22147 14 p.

Research output: Contribution to journalArticle

4 Scopus citations

Development of a ReaxFF Reactive Force Field for NaSiO x/Water Systems and Its Application to Sodium and Proton Self-Diffusion

Hahn, S. H., Rimsza, J., Criscenti, L., Sun, W., Deng, L., Du, J., Liang, T., Sinnott, S. B. & Van Duin, A. C. T., Aug 30 2018, In : Journal of Physical Chemistry C. 122, 34, p. 19613-19624 12 p.

Research output: Contribution to journalArticle

15 Scopus citations

DFT insight into the effect of potassium on the adsorption, activation and dissociation of CO2 over Fe-based catalysts

Nie, X., Meng, L., Wang, H., Chen, Y., Guo, X. & Song, C., Jan 1 2018, In : Physical Chemistry Chemical Physics. 20, 21, p. 14694-14707 14 p.

Research output: Contribution to journalArticle

6 Scopus citations

DFT insight into the support effect on the adsorption and activation of key species over Co catalysts for CO2 methanation

Nie, X., Wang, H., Li, W., Chen, Y., Guo, X. & Song, C., Mar 2018, In : Journal of CO2 Utilization. 24, p. 99-111 13 p.

Research output: Contribution to journalArticle

10 Scopus citations

Digging the “ethnic violence in china” database: The effects of inter-ethnic inequality and natural resources exploitation in xinjiang

Cao, X., Duan, H., Liu, C., Piazza, J. A. & Wei, Y., May 1 2018, In : China Review. 18, 2, p. 121-154 34 p.

Research output: Contribution to journalArticle

2 Scopus citations

Direct Observation of Correlated Triplet Pair Dynamics during Singlet Fission Using Ultrafast Mid-IR Spectroscopy

Grieco, C., Kennehan, E. R., Kim, H., Pensack, R. D., Brigeman, A. N., Rimshaw, A., Payne, M. M., Anthony, J. E., Giebink, N. C., Scholes, G. D. & Asbury, J. B., Feb 1 2018, In : Journal of Physical Chemistry C. 122, 4, p. 2012-2022 11 p.

Research output: Contribution to journalArticle

34 Scopus citations

Direct observation of the effects of cellulose synthesis inhibitors using live cell imaging of Cellulose Synthase (CESA) in Physcomitrella patens

Tran, M. L., McCarthy, T. W., Sun, H., Wu, S. Z., Norris, J. H., Bezanilla, M., Vidali, L., Anderson, C. T. & Roberts, A. W., Dec 1 2018, In : Scientific reports. 8, 1, 735.

Research output: Contribution to journalArticle

6 Scopus citations

Direct Transformation of Carbon Dioxide to Value-Added Hydrocarbons by Physical Mixtures of Fe5C2 and K-Modified Al2O3

Liu, J., Zhang, A., Jiang, X., Liu, M., Zhu, J., Song, C. & Guo, X., Jul 18 2018, In : Industrial and Engineering Chemistry Research. 57, 28, p. 9120-9126 7 p.

Research output: Contribution to journalArticle

8 Scopus citations

Discovering minimum energy pathways via distortion symmetry groups

Munro, J. M., Akamatsu, H., Padmanabhan, H., Liu, V. S., Shi, Y., Chen, L. Q., Vanleeuwen, B. K., Dabo, I. & Gopalan, V., Aug 6 2018, In : Physical Review B. 98, 8, 085107.

Research output: Contribution to journalArticle

5 Scopus citations

Discovery of Descriptors for Stable Monolayer Oxide Coatings through Machine Learning

Jonayat, A. S. M., Van Duin, A. C. T. & Janik, M. J., Nov 26 2018, In : ACS Applied Energy Materials. 1, 11, p. 6217-6226 10 p.

Research output: Contribution to journalArticle

2 Scopus citations