2023
In silico Discovery of a New Class of Anolyte Redoxmers for Non-aqueous Redox Flow Batteries, Akash Jain, Ilya Shkrob, Hieu A. Doan, Lily A. Robertson, Lu Zhang, Rajeev S. Assary, Digital Discovery, 2023, 2, 1197-1208.
Accurate Prediction of Adiabatic Ionization Potentials of Organic Molecules using Quantum Chemistry Assisted Machine Learning, Naveen K. Dandu, Logan Ward, Rajeev S. Assary, Paul C. Redfern, Larry A. Curtiss, Journal of Physical Chemistry A, 2023, 127, 28, 5914-5920.
Emergent Solvation Phenomena in Non-Aqueous electrolytes with multiple anions, Darren M. Driscoll, Sydney N. Lavan, Milena Zorko, Dusan Strmcnik, M. Balasubramanian, J. G. Connell, Chem 2023 (doi.org/10.1016/j.chempr.2023.03.021).
Coordination-Dependent Chemical Reactivity of TFSI Anions at a Mg Metal Interface, Venkateshkumar Prabhakaran, Garvit Agarwal, Jason D. Howard, Sungun Wi, V. Shutthanandan, Dan-Thien Ngugen, Luke Soule, Grant E. Johnson, Yi-Sheng Liu, Feipeng Yang, Xuefei Feng, Jinghua Guo, Kie Hankins, Larry A. Curtiss, Karl T. Mueller, Rajeev S. Assary, Vijayakumar Murugesan, ACS Applied Materials & Interfaces, 2023, 15, 5, 7518-7528.
Accelerating the Evaluation of Crucial Descriptors for Catalyst Screening via Message Passing Neural Network, Hieu A Doan, Chenyang Li, Logan Ward, Mingxia Zhou, Larry A. Curtiss, Rajeev Assary, Digital Discovery, 2023, 2, 59-68. (Cover image)
Mechanistic Insights into the Catalytic Condensation of Methyl Ketones on MgO Surfaces Mingxia Zhou, Larry A. Curtiss, Rajeev S. Assary, Chemical Research in Chinese Universities, 1-7, 2023.
An SECM-Based Spot Analysis for Redoxmer-Electrode Kinetics: Identifying Redox Asymmetries on Model Graphitic Carbon Interfaces, Raghuram Gaddam, Dipobrato Sarbapalli, Jason Howard, Larry Curtiss, Rajeev S. Assary, Joaquin Rodriguez-Lopez, Chemistry an Asian Journal, 2023, doi.org/10.1002/asia.202201120).
Colocalized Raman Spectroscopy – _Scanning Electrochemical Microscopy Investigation of Redox-Flow Battery Dialkoxybenzene Redoxmer Degradation Pathways, Andrew S. Danis, Michael J. Counihan, Kendrich O. Hatfield, Jingjing Zhang, Garvit Agarwal, Lu Zhang, Rajeev S. Assary, Joaquin Rodriguez-Lopez, Electrochemical Acta, 2023, 447, 142123.
Photoreactive Carbon Dioxide Capture by a Zirconium–Nanographene Metal–Organic Framework. The Journal of Physical Chemistry Letters, Xin Zheng, Matthew C Drummer, Haiying He, Thomas M Rayder, Jens Niklas, Nicholas P Weingartz, Igor L Bolotin, Varun Singh, Boris V Kramar, Lin X Chen, Joseph T Hupp, Oleg G Poluektov, Omar K Farha, Peter Zapol, Ksenija D Glusac 2023 14(18): 4334-4341.
Multifunctional Coatings on Sulfide-Based Solid Electrolyte Powders with Enhanced Processability, Stability, and Performance for Solid-State Batteries, Zachary D Hood, Anil U Mane, Aditya Sundar, Sanja Tepavcevic, Peter Zapol, Udochukwu D Eze, Shiba P Adhikari, Eungje Lee, George E Sterbinsky, Jeffrey W Elam, Justin G Connell Adv. Mater. 2023, 35, 2300673.
Investigation of Rechargeable Calcium Metal-Selenium Batteries Enabled by Borate-Based Electrolytes, Sanghyeon Kim, Nathan T Hahn, Timothy T Fister, Noel J Leon, Xiao-Min Lin, Haesun Park, Peter Zapol, Saul H Lapidus, Chen Liao, John T Vaughey, Chem. Mater. 2023, 35, 6, 2363–2370.
Oxide-Based Solid-State Batteries: A Perspective on Composite Cathode Architecture, Yaoyu Ren, Timo Danner, Alexandra Moy, Martin Finsterbusch, Tanner Hamann, Jan Dippell, Till Fuchs, Marius Müller, Ricky Hoft, André Weber, Larry A Curtiss, Peter Zapol, Matthew Klenk, Anh T Ngo, Pallab Barai, Brandon C Wood, Rongpei Shi, Liwen F Wan, Tae Wook Heo, Martin Engels, Jagjit Nanda, Felix H Richter, Arnulf Latz, Venkat Srinivasan, Jürgen Janek, Jeff Sakamoto, Eric D Wachsman, Dina Fattakhova‐Rohlfing Adv. Energy Mater. 2023, 13, 2201939.
Triarylmethyl cation redox mediators enhance Li–O2 battery discharge capacities,Erik J Askins, Marija R Zoric, Matthew Li, Rachid Amine, Khalil Amine, Larry A Curtiss, Ksenija D Glusac, Nature Chemistry (2023). doi.org/10.1038/s41557-023-01268-0.
A room temperature rechargeable Li2O-based lithium-air battery enabled by a solid electrolyte, Alireza Kondori, Mohammddadreza Esmaeilirad, Ahmad Mosen Harzandi, Rachid Amine, Mahmoud Tamadoni Saray, Lei Yu, Tongchao Liu, Jianguo Wen, Nannan Shan, Hsien-Hau Wang, Anh T Ngo, Paul C Redfern, Christopher S Johnson, Khalil Amine, Reza Shahbazian-Yassar, Larry A Curtiss, Mohammad Asadi, Science 379, 499-505 (2023) DOI: 10.1126/science.abq1347.
Accurate Prediction of Adiabatic Ionization Potentials of Organic Molecules using Quantum Chemistry Assisted Machine Learning, Naveen K Dandu, Logan Ward, Rajeev S Assary, Paul C Redfern, Larry A Curtiss, The Journal of Physical Chemistry A, 127, 28, 5914–592 (2023) doi.org/10.1021/acs.jpca.3c00823.
Lithium superoxide-based high rate Li-Air batteries enabled by Di-iridium sulfur bridge active sites, Chengji Zhang, Shuxi Wang, Taimin Yang, Nannan Shan, Sachin Kumar Singh, Ahmad Jaradat, Musawenkosi K Ncube, Paul Redfern, Arunkumar Subramanian, Zhehao Huang, Anh T Ngo, Larry A Curtiss, Amin Salehi‐khojin, Energy Storage Materials, 60, 102844 (2023) doi.org/10.1016/j.ensm.2023.102844.
A solid-state Li-air battery: computational studies of interfaces and relevance to discharge mechanism, Nannan Shan, Anh Ngo, Alireza Kondori, Mohammad Asadi, Larry A Curtiss, Faraday Discussions, (2023) doi.org/10.1039/D3FD00083D.
A High‐Rate Li–CO2 Battery Enabled by 2D Medium‐Entropy Catalyst, Ahmad Jaradat, Chengji Zhang, Sanket Shashikant Sutar, Nannan Shan, Shuxi Wang, Sachin Kumar Singh, Taimin Yang, Khagesh Kumar, Kartikey Sharma, Shahriar Namvar, Ahmadiparidari Alireza, Tomas Rojas, Vikas Berry, Jordi Cabana‐Jimenez, Zhehao Huang, Arunkumar Subramanian, Anh T Ngo, Larry A Curtiss, Amin Salehi‐Khojin, Advanced Functional Materials, 33, 2300814 (2023) doi.org/10.1002/adfm.202300814.
In situ microscopy and spectroscopy characterization of microsized Sn anode for sodium-ion batteries, Amine Daali, Xinwei Zhou, Chen Zhao, Inhui Hwang, Zhenzhen Yang, Yuzi Liu, Rachid Amine, Cheng-Jun Sun, Wilkistar Otieno, Gui-Liang Xu, Khalil Amine,” Nano Energy, 2023, 108753.
Terminally Fluorinated Glycol Ether Electrolyte for Lithium Metal Batteries, Su, Chi-Cheung, Jiayan Shi, Rachid Amine, Meinan He, Seoung-Bum Son, Juchen Guo, Meng Jiang, et al..” Nano Energy 110, 108335.
Prelithiation of Lithium Peroxide for Silicon Anode: Achieving a High Activation Rate , Shi, Jiayan, Chi-Cheung Su, Rachid Amine, Xianyang Wu, Peter Lamp, Filippo Maglia, Roland Jung, et al..” ACS Applied Materials & Interfaces (2023), 15, 22, 26710-26717.
2022
Ionic Dynamics of Charge Carrier in Layered Solid Materials for Magnesium Batteries, Chuhong Wang, Tim Mueller, Rajeev S. Assary, Chemistry of Materials 2022, 34, 8769-8776.
Mechanistic insights and Rational Design of Ca-doped CeO2 catalyst for Acetic acid Ketonization, M. Zhou, A. Church, M. Cordon, C. Li, R. Hunt, J. Choi, L. Bai, Z. Li, J. Park, M. Hu, L. Curtiss, R. Assary, ACS Sustainable Chemistry & Engineering, 2022, 10, 34, 11068-11077.
Probing the electrolyte influence on CO2 reduction in aprotic solvents, Reginaldo Gomes Neto, Chris Birch, Morgan Cencer, Chenyang Li, Seoung-Bum Son, Ira Bloom, Rajeev S. Assary, Chibueze Amanchukwu, The Journal of Physical Chemistry C, 2022. 126, 32, 13595-13606.
Interactions of CO2 Anion Radicals with Electrolyte Environments from first principles simulations, Morgan. M. Cencer, Chenyang Li, Garvit Agarwal, Reginaldo Jose Gomes Neto, Chibueze V. Amanchukwu, Rajeev S. Assary, ACS Omega, 2022, 7, 21, 18131-38.
Mesolytic Cleavage of Homobenzylic Ethers for Programmable End-of-Life Function in Redoxmers, Hai Qian, † _Michael J. Counihan, Hieu A. Doan, Andrew S. Danis, Worapol Setwipatanachai, Nathan S. Purwanto, Joaquín Rodríguez-López, Rajeev S. Assary, Jeffrey S. Moore, Journal of Materials Chemistry A, 2022, 10, 7739-7753.
A KMnO4 generated colloidal electrolyte for redox mediation and anode protection in a Li-Air battery, S. Rastegar, A. Ahmadiparidari, S. Kumar Sing, C. Zhang, ZZ/ Hemmat, N. Dandu, M. Counihan, M. Bagheri, T. Rojas, L. Majidi, S. Wang, A. Jaradat, R. Assary, P. Redfern, P. Mirbod, S. Tepavcevic, A. Subramanian, A. Ngo, L. Curtiss, A. Salehi-Khojin, ACS Nano, 2022, 16, 11, 18187-18199.
Improving Accuracy of Composite Methods: A G4MP2 Method with G4-like Accuracy and Implications for Machine Learning, Naveen Dandu, Rajeev S. Assary, Paul Redfern, Logan Ward, Ian Foster, Larry A. Curtiss, The Journal of Physical Chemistry A, 2022, 126, 27, 4528-4536.
Machine Learning for Polymeric Materials, Morgan Cencer, Jeffrey Moore, Rajeev S. Assary, Polymer International, 2022, 71, 537-542.
Fluorination Enables Concurrent Improvements of a Dialkoxybenzene Based Catholyte Redoxmer for Redox Flow Batteries, Sambasiva R. Bheemireddy, Jingjing Zhang, Garvit Agarwal, Lily A. Robertson, Ilya A. Shkrob, Rajeev S. Assary, Zhengcheng Zhang and Lu Zhang, ACS Applied Materials & Interfaces, 2022, 14, 25, 28834-28841.
Investigation of Ca Insertion into α-MoO3 Nanoparticles for High-Capacity Ca-Ion Cathodes, Sanghyeon Kim, Liang Yin, Seong-Min Bak, Timothy T Fister, Haesun Park, Prakash Parajuli, Jihyeon Gim, Zhenzhen Yang, Robert F Klie, Peter Zapol, Yonghua Du, Saul H Lapidus, John T Vaughey, Nano Lett. 2022, 22, 6, 2228–2235.
Designing silicon carbide heterostructures for quantum information science: challenges and opportunities, K J Harmon, N Delegan, MJ Highland, H He, P Zapol, FJ Heremans, SO Hruszkewycz, Mater. Quantum. Technol. 2022, 2 023001.
Burton-Cabrera-Frank theory for surfaces with alternating step types, Guangxu Ju, Dongwei Xu, Carol Thompson, Matthew J Highland, Jeffrey A Eastman, Weronika Walkosz, Peter Zapol, G Brian Stephenson, Phys. Rev. B 105, 054312 (2022).
MoOxSy/Ni3S2 Microspheres on Ni Foam as Highly Efficient, Durable Electrocatalysts for Hydrogen Evolution Reaction, Zihuan Yu, Huiqin Yao, Yan Yang, Mengwei Yuan, Cheng Li, Haiying He, Ting-Shan Chan, Dongpeng Yan, Shulan Ma, Peter Zapol, Mercouri G Kanatzidis, Chem. Mater. 2022, 34, 2, 798–808.
Increasing Ionic Conductivity of Poly (ethylene oxide) by Reaction with Metallic Li, Pei Liu, Michael J Counihan, Yisi Zhu, Justin G Connell, Daniel Sharon, Shrayesh N Patel, Paul C Redfern, Peter Zapol, Nenad M Markovic, Paul F Nealey, Larry A Curtiss, Sanja Tepavcevic, Adv. Energy Sustainability Res., 2022,3, 2100142.
Atomically precise control of rotational dynamics in charged rare-earth complexes on a metal surface, Tolulope Michael Ajayi, Vijay Singh, Kyaw Zin Latt, Sanjoy Sarkar, Xinyue Cheng, Sineth Premarathna, Naveen K Dandu, Shaoze Wang, Fahimeh Movahedifar, Sarah Wieghold, Nozomi Shirato, Volker Rose, Larry A Curtiss, Anh T Ngo, Eric Masson, Saw Wai Hla, Nature Communications, 13, 6305 (2022), doi.org/10.1038/s41467-022-33897-3.
Novel Co‐Catalytic Activities of Solid and Liquid Phase Catalysts in High‐Rate Li‐Air Batteries, Chengji Zhang, Ahmad Jaradat, Sachin Kumar Singh, Tomas Rojas, Alireza Ahmadiparidari, Sina Rastegar, Shuxi Wang, Leily Majidi, Paul Redfern, Arunkumar Subramanian, Anh T Ngo, Larry A Curtiss, Amin Salehi‐Khojin, Advanced Energy Materials, 202201616 (2022) DOI: 10.1002/aenm.202201616.
Efficient electrocatalytic conversion of CO2 to ethanol enabled by imidazolium-functionalized ionomer confined molybdenum phosphide, Mohammadreza Esmaeilirad, Alireza Kondori, Nannan Shan, Mahmoud Tamadoni Saray, Sreya Sarkar, Ahmad M Harzandi, Constantine M Megaridis, Reza Shahbazian-Yassar, Larry A Curtiss, Carlo U Segre, Mohammad Asadi, Applied Catalysis B: Environmental 317, 121681 (2022). /10.1016/j.apcatb.2022.121681
Unprecedented Multifunctionality in 1D Nb1‐xTaxS3 Transition Metal Trichalcogenide Alloy, Zahra Hemmat, Alireza Ahmadiparidari, Shuxi Wang, Khagesh Kumar, Michael Zepeda, Chengji Zhang, Naveen Dandu, Sina Rastegar, Leily Majidi, Ahmad Jaradat, Anh Ngo, Katsuyo Thornton, Larry A Curtiss, Jordi Cabana, Zhehao Huang, Amin Salehi‐Khojin, Advanced Functional Materials, 32, 2205214 (2022) 10.1002/adfm.202205214.
A New Cathode Material for a Li-O2 Battery Based on Lithium Superoxide, Samuel T Plunkett, Alireza Kondori, Duck Young Chung, Jianguo Wen, Mark Wolfman, Saul H Lapidus, Yang Ren, Rachid Amine, Khalil Amine, Anil U Mane, Mohammad Asadi, Said Al-Hallaj, Brian P Chaplin, Kah Chun Lau, Hsien-Hau Wang, Larry A Curtiss, ACS Energy Letters 7 (8), 2619-2626 (2022) 10.1021/acsenergylett.2c01191.
Toward Bottom-Up Understanding of Transport in Concentrated Battery Electrolytes A Mistry, Aashutosh Mistry, Zhou Yu, Brandon L Peters, Chao Fang, Rui Wang, Larry A Curtiss, Nitash P Balsara, Lei Cheng, Venkat Srinivasan ACS Central Science 8 (7), 880-890 (2022). doi.org/10.1021/acscentsci.2c00348.
Effects of Salt Aggregation in Perfluoroether Electrolytes, Brandon L Peters, Zhou Yu, Paul C Redfern, Larry A Curtiss, Lei Cheng, Journal of the Electrochemical Society 169 (2), 020506 (2022) 10.1149/1945-7111/ac4c7a.
Tunable Solid Acid Catalyst Thin Films Prepared by Atomic Layer Deposition, Christian P Canlas, Lei Cheng, Brandon O’Neill, Fulya Dogan, Joseph A Libera, James A Dumesic, Larry A Curtiss, Jeffrey W Elam, ACS Applied Materials & Interfaces, 14, 43171-43179 (2022) doi.org/10.1021/acsami.2c09734.
Understanding the Solid-State Electrode–Electrolyte Interface of a Model System Using First-Principles Statistical Mechanics and Thin-Film X-ray Characterization, Jason D Howard, Guennadi Evmenenko, Jae Jin Kim, Robert E Warburton, Shane Patel, Timothy T Fister, D Bruce Buchholz, Jeffrey Greeley, Larry A Curtiss, Paul Fenter, ACS Applied Materials & Interfaces 14 (5), 7428-7439 (2022). doi: 10.1021/acsami.1c20988.
Concentration-dependent ion correlations impact the electrochemical behavior of calcium battery electrolytes, Nathan T Hahn, Julian Self, Darren M Driscoll, Naveen Dandu, Kee Sung Han, Vijayakumar Murugesan, Karl T Mueller, Larry A Curtiss, Mahalingam Balasubramanian, Kristin A Persson, Kevin R Zavadil, Physical Chemistry Chemical Physics 24 (2), 674-686 (2022). doi.org/10.1039/D1CP04370F.
Nanostructured Conductive Metal Organic Frameworks for Sustainable Low Charge Overpotentials in Li–Air Batteries, Leily Majidi, Alireza Ahmadiparidari, Nannan Shan, Sachin Kumar Singh, Chengji Zhang, Zhehao Huang, Sina Rastegar, Khagesh Kumar, Zahra Hemmat, Anh T Ngo, Peter Zapol, Jordi Cabana, Arunkumar Subramanian, Larry A Curtiss, Amin Salehi‐Khojin, Small 18, 2102902 (2022). doi: 10.1002/smll.202102902.
LiNi0.8Fe0.1Al0.1O2 as a cobalt-free cathode material with high capacity and high capability for lithium-ion batteries, Elmaataouy, Elhoucine, Abdelwahed Chari, Ayoub El Bendali, Marwa Tayoury, Rachid Amine, Mohamed Aqil, GuiLiang Xu, et al., Batteries 9, no. 1 (2022):23 doi: 10.3390/batteries9010023.
Tuning working potential of silicon-phosphorus anode via microstructure control for high-energy lithium-ion batteries.”, Daali, Amine, Chen Zhao, Xinwei Zhou, Zhenzhen Yang, Rachid Amine, Yuzi Liu, Otieno Wilkistar, et al., Journal of Solid State Electrochemistry 26, no. 9 September, 2022: 1919-1927. doi: 10.1007/s10008-022-05192-0.
How do super concentrated electrolytes push the Li-ion batteries and supercapacitors beyond their thermodynamic and electrochemical limits?.”, Sayah, Simon , Arunabh Ghosh, Mariam Baazizi, Rachid Amine, Mouad Dahbi, Youssef Amine, Fouad Ghamouss and et al., Nano Energy 98 July, 2022 doi: 10.1016/j.nanoen. 2022.107336.
Solvation-Protection-Enabled High-Voltage Electrolyte for Lithium Metal Batteries., Su, Chi-Cheung, Meinan He, Mei Cai, Jiayan Shi, Rachid Amine, Nancy Dietz Rago, Juchen Guo, et al., Nano Energy 92 February, 2022 doi: 10.1016/j.nanoen.2021.106720.
High Nickel and No Cobalt—the Pursuit of Next-Generation Layered Oxide Cathodes. , Yu, Lei, Tongchao Liu, Rachid Amine, Jianguo Wen, Jun Lu and Khalil Amine. ” ACS Applied Materials & Interfaces 14, no. 20 March 25, 2022: 23056-23065. doi: 10.1021/acsami.1c22091.
2021
Identification of Active Metal Carbides and Nitrides Catalytic Facets for Hydrodeoxygenation Reactions, Mingxia Zhou, Hieu A. Doan, Larry A. Curtiss, Rajeev Assary, Journal of Physical Chemistry C, 2021, 125, 16, 8630-8637.
Experimental Protocols for Studying Organic Non-Aqueous Redox Flow Batteries, Min Li, Susan A Odom, Adam R Pancoast, Lily A Robertson, Thomas P Vaid, Garvit Agarwal, Hieu A Doan, Yilin Wang, T. Malsha Suduwella, Sambasiva R Bheemireddy, Randy H. Ewoldt, Rajeev S Assary, Lu Zhang, Matthew S Sigman, Shelley D Minteer, ACS Energy Letters, 2021, 6, 11, 3932-3943.
Catalytic Activity and Water Stability of the MgO (111) Surface for 2-Pentanone Condensation, X. Huo, D. Conklin, M. Zhou, V. Vorotnikov, R. Assary, S. Purdy, K. Page, Z. Li, K. Unocic, R. Balderas, R. Richards, D. Vardon, Appl. Catal. B, 2021, 294, 120234.
Graph-Based Approaches for Predicting Solvation Energy in Multiple Solvents: Open Datasets and Machine Learning Models, L. Ward, N. Dandu, Blaiszik B., Narayanan B., Assary, R., Redfern P., Foster I, Curtiss L., Journal of Physical Chemistry A, 2021, 125, 27, 5990-5998.
Selective Butene Formation in Direct Ethanol C3+ Olefin Valorization over Zn-Y/Beta and Single-atom Alloy Composition Catalysts Using in situ Generated Hydrogen, M. Cordon, J. Zhang, S. Purdy, E. Wegener, K. Unocic, L. Allard, M. Zhou, R. Assary, J. Miller, T. Krause, A. Kropf, C. Yang, D. Liu, Z. Li., ACS Catalysis, 2021 .11, 7193-7209.
TEMPO-allegro: Liquid catholyte redoxmers for non-aqueous redox flow batteries, Yuyue Zhao, Jingjing Zhang, Garvit Agarwal, Zhou Yu, Rebecca E. Corman, Yilin Wang, Lily Robertson, Zhangxin Shi, Hieu A Doan, Randy H Ewoldt, Ilya Shkrob, Rajeev S. Assary, Lei Cheng, Venkat Srinivasan, Susan J. Babinec, Lu Zhang, Journal of Materials Chemistry A, 2021, 9, 16769-16775.
Crowded Electrolytes Containing Redoxmers in Different States of Charge: Solvation Structure, Properties, and Fundamental Limits on Energy Density, Shkrob, I; Robertson, L; Yu, Z; Assary, R; Cheng, L; Zhang, L; Sarmello, E; Liu, X; Li, T; Kaur, A; Saduwella, M; Odom, S; Wang, Y; Ewoldt, R; Farag, H; Journal of Molecular Liquids, 2021, 116533.
Insights into Spontaneous Solid Electrolyte Interphase Formation at Magnesium Metal Anode Surface from Ab Initio Molecular Dynamics Simulations, Agarwal, Garvit; Howard, Jason David; Prabhakaran, Venkateshkumar; Johnson, Grant; Murugesan, Vijayakumar; Mueller, Karl; Curtiss, Larry; Assary, Rajeev, ACS Applied Materials Interfaces, 2021, 13, 38816-38825.
Discovery of Energy Storage Molecular Materials using Quantum Chemistry-guided Multi-objective Bayesian Optimization, Agarwal, Garvit; Doan, Hieu; Robertson, Lily; Zhang, Lu; Assary, Rajeev, Chemistry of Materials, 2021, 33, 8133-8144.
Critical Role of Structural Order in Bipolar Redox Active Molecules for Organic Redox Flow Batteries, Min, Li; Agarwal, Garvit; Shkrob, Illya; VanderLinder, Ryan; Case, Julia; Prater, Matthew; Rhodes, Zayn; Surendran Assary, Rajeev; Minteer, Shelley; Journal of Materials Chemistry A., 2021, 9, 23563-573.
IEEE/ACM Workshop on Machine Learning in High Performance Computing Environments (MLHPC), Logan Ward, Ganesh Sivaraman, J Gregory Pauloski, Yadu Babuji, Ryan Chard, Naveen Dandu, Paul C Redfern, Rajeev S Assary, Kyle Chard, Larry A Curtiss, Rajeev Thakur, Ian Foster, 2021, 9-20.
An Electrochemically Activated Nanofilm for Sustainable Mg Anode with Fast Charge Transfer Kinetics, Hui Wang, Jaegeon Ryu, Scott A McClary, Daniel M Long, Mingxia Zhou, Mark H Engelhard, Liangfeng Zou, Joseph Quinn, Paul Kotula, Kee Sung Han, Haiping Jia, Chongmin Wang, Rajeev Surendran Assary, Kevin R Zavadil, Vijayakumar Murugesan, Karl T Mueller, Yuyan Shao, Journal of Electrochemical Society, 2021, 168, 120519.
Layered Transition Metal Oxides as Ca Intercalation Cathodes: A Systematic First‐Principles Evaluation, Haesun Park, Christopher J Bartel, Gerbrand Ceder, Peter Zapol, Adv. Energy Mater. 2021, 11, 2101698.
Atomic-Scale Structure of Chemically Distinct Surface Oxygens in Redox Reactions, Anusheela Das, Haesun Park, Yanna Chen, Devika Choudhury, Tien-Lin Lee, Jeffrey W Elam, Peter Zapol, Michael J Bedzyk, J. Am. Chem. Soc. 2021, 143, 43, 17937–17941.
Theoretical evidence of water serving as a promoter for lithium superoxide disproportionation in Li-O-2 batteries. Shan, N. N.; Redfern, P. C.; Ngo, A. T.; Zapol, P.; Markovic, N.; Curtiss, L. A., Physical Chemistry Chemical Physics 2021, 23 (17), 10440-10447.
2D Copper Tetrahydroxyquinone Conductive Metal-Organic Framework for Selective CO2 Electrocatalysis at Low Overpotentials, Majidi, L.; Ahmadiparidari, A.; Shan, N. N.; Misal, S. N.; Kumar, K.; Huang, Z. H.; Rastegar, S.; Hemmat, Z.; Zou, X. D.; Zapol, P.; Cabana, J.; Curtiss, L. A.; Salehi-Khojin, A., Advanced Materials 2021, 33 (10).
Dynamically Stable Active Sites from Surface Evolution of Perovskite Materials during the Oxygen Evolution Reaction, Lopes, P. P.; Chung, D. Y.; Rui, X.; Zheng, H.; He, H. Y.; Martins, P.; Strmcnik, D.; Stamenkovic, V. R.; Zapol, P.; Mitchell, J. F.; Klie, R. F.; Markovic, N. M., Journal of the American Chemical Society, 2021, 143 (7), 2741-2750.
In situ microbeam surface X-ray scattering reveals alternating step kinetics during crystal growth, Ju, G. X.; Xu, D. W.; Thompson, C.; Highland, M. J.; Eastman, J. A.; Walkosz, W.; Zapol, P.; Stephenson, G. B., Nature Communications 2021, 12 (1).
Crystal truncation rods from miscut surfaces with alternating terminations, Ju, G. X.; Xu, D. W.; Thompson, C.; Highland, M. J.; Eastman, J. A.; Walkosz, W.; Zapol, P.; Stephenson, G. B., Physical Review B 2021, 103 (12).
High Performance Air Breathing Flexible Lithium–Air Battery, Ahmad Jaradat, Chengji Zhang, Sachin Kumar Singh, Junaid Ahmed, Alireza Ahmadiparidari, Leily Majidi, Sina Rastegar, Zahra Hemmat, Shuxi Wang, Anh T Ngo, Larry A Curtiss, Matthew Daly, Arunkumar Subramanian, Amin Salehi‐khojin, Small 17, 2102072 (2021). 10.1002/smll.202102072.
Beyond local solvation structure: nanometric aggregates in battery electrolytes and their effect on electrolyte properties, Zhou Yu, Nitash P Balsara, Oleg Borodin, Andrew A Gewirth, Nathan T Hahn, Edward J Maginn, Kristin A Persson, Venkat Srinivasan, Michael F Toney, Kang Xu, Kevin R Zavadil, Larry A Curtiss, Lei Cheng, ACS Energy Letters 7 (1), 461-470 (2021). doi: 10.1021/acsenergylett.1c02391.
Colmena: Scalable machine-learning-based steering of ensemble simulations for high performance computing, Logan Ward, Ganesh Sivaraman, J Gregory Pauloski, Yadu Babuji, Ryan Chard, Naveen Dandu, Paul C Redfern, Rajeev S Assary, Kyle Chard, Larry A Curtiss, Rajeev Thakur, Ian Foster, 2021 IEEE/ACM Workshop on Machine Learning in High Performance Computing Environments (MLHPC), pages 9-20 (2021) 10.1109/MLHPC54614.2021.00007.
Electronic Properties of Ir3Li and Ultra-nanocrystalline Lithium Superoxide Formation, Samuel T. Plunkett, Chengji Zhang, Kah Chun Lau, Megan R Kephart, JG Wen, Duck Young Chung, Daniel Phelan, Yang Ren, Khalil Amine, Said Al-Hallaj, Brian P Chaplin, Hsien-Hau Wang, Larry A Curtiss, Nano Energy, 90, 106549 (2021), doi: 10.1016/j.nanoen.2021.106549.
One-Dimensional Lateral Force Anisotropy at the Atomic Scale in Sliding Single Molecules on a Surface, Yuan Zhang, Daniel J Trainer, Badri Narayanan, Yang Li, Anh T Ngo, Sushila Khadka, Arnab Neogi, Brandon Fisher, Larry A Curtiss, Subramanian KRS Sankaranarayanan, Saw Wai Hla, Nano Letters 21 (15), 6391-6397 (2021).
Investigation of Delamination-Induced Performance Decay at the Cathode/LLZO Interface, Pallab Barai, Tomas Rojas, Badri Narayanan, Anh T Ngo, Larry A Curtiss, Venkat Srinivasan, Chemistry of Materials 33 (14), 5527-5541 (2021).
Multicomponent Phase Separation in Ternary Mixture Ionic Liquid Electrolytes, Shadi Fuladi, Hamed Gholivand, Alireza Ahmadiparidari, Larry A Curtiss, Amin Salehi-Khojin, Fatemeh Khalili-Araghi, Journal of Physical Chemistry B 125, 25, 7024–7032 (2021). doi: 10.1021/acs.jpcb.1c01327.
Enhancing the performance of lithium oxygen batteries through combining redox mediating salts with a lithium protecting salt, Alireza Ahmadiparidari, Shadi Fuladi, Leily Majidi, Samuel Plunkett, Erik Sarnello, Hamed Gholivand, Zahra Hemmat, Sina Rastegar, Saurabh N Misal, Nallely Jimenez, Paul C Redfern, Jianguo Wen, Tao Li, Anh T Ngo, Fatemeh Khalili-Araghi, Larry A Curtiss, Amin Salehi-Khojin, Journal of Power Sources, 491, 229506 (2021).
High-Rate Long Cycle-Life Li-Air Battery Aided by Bifunctional InX3 (X = I and Br) Redox Mediators, Sina Rastegar, Zahra Hemmat, Chengji Zhang, Samuel Plunkett, Jianguo Wen, Naveen Dandu, Tomas Rojas, Leily Majidi, Saurabh N Misal, Anh T Ngo, Larry A Curtiss, Amin Salehi-Khojin, ACS Applied Materials & Interfaces 13 (4), 4915-4922 (2021).
Solvation Structure and Dynamics of Mg(TFSI)2 Aqueous Electrolyte, Zhou Yu, Taylor R Juran, Xinyi Liu, Kee Sung Han, Hui Wang, Karl T Mueller, Lin Ma, Kang Xu, Tao Li, Larry A Curtiss, Lei Cheng, Energy & Environmental Materials 0, 1-10 (2021) doi.org/10.1002/eem2.12174.
Molecular Engineering to Enable High-Voltage Lithium-Ion Battery: From Propylene Carbonate to Trifluoropropylene, Carbonate Jianzhong Yang, Qian Liu, Krzysztof Z Pupek, Trevor L Dzwiniel, Nancy L Dietz Rago, Jiayu Cao, Naveen Dandu, Larry Curtiss, Kewei Liu, Chen Liao, Zhengcheng Zhang, ACS Energy Letters, 6 (2), 371-378 (2021).
Cation Additive Enabled Rechargeable LiOH‐Based Lithium–Oxygen Batteries, Xuanxuan Bi, Matthew Li, Cong Liu, Yifei Yuan, Hao Wang, Baris Key, Rongyue Wang, Reza Shahbazian‐Yassar, Larry A Curtiss, Jun Lu, Khalil Amine, Angewandte Chemie 132 (51), 22993-22993 (2021).
Xin He, Dominic Bresser, Stefano Passerini, Florian Baakes, Ulrike Krewer, Jeffrey Lopez, Christopher Mallia, Yang Shao-Horn, Isidora Cekic-Laskovic, Simon Wiemers-Meyer, Fernando Soto, Victort Ponce, Jorge Seminario, Perla Balbuena, Hao Jia, Wu Xu, Yaobin Xu, Chongmin Wang, Birger Horstmann, Rachid Amine, Chi-Cheung Su, Jiayan Shi, Khalil Amine, Martin Winter, Arnulf Latz & Robert Kostecki, “The passivity of lithium electrodes in liquid electrolytes for secondary batteries.”, Nature Reviews Materials 6, no. 11 (2021): 1036-1052.
Superior Long-term Cycling of High-Voltage Lithium-ion Batteries Enabled by Single-solvent Electrolyte., Su, Chi-Cheung, Meinan He, Jiayan Shi, Rachid Amine, Jian Zhang, Juchen Guo and Khalil Amine., Nano Energy 89, 106299.
Unveiling Decaying Mechanism through Quantitative Structure-Activity Relationship in Electrolytes for Lithium-ion Batteries., Su, Chi-Cheung, Meinan He, Rachid Amine, Zonghai Chen, Zhou Yu, Tomas Rojas, Lei Cheng, et al. Nano Energy 83 May, 2021 doi: 10.1016/j.nanoen.2021.105843.
Strategies towards enabling lithium metal in batteries: interphases and electrodes , Horstmann, Birger, Jiayan Shi, Rachid Amine, Martin Werres, Xin He, Hao Jia, Florian Hausen, et al., Energy and Environmental Science 2021 doi: 10.1039/d1ee00767j.
Bioinspired redox mediated electrolyte for high performance flexible supercapacitor applications over broad temperature domain., Cevik, Emre, Seyda Gunday, Ayhan Bozkurt, Rachid Amine and Khalil Amine, Journal of Power Sources 474 October 31, 2020 doi: 10.1016/j.jpowsour.2020.228544.
Principle in Developing Novel Fluorinated Sulfone Electrolyte for High Voltage Lithium-ion Batteries., Su, Chi-Cheung, Meinan He, Jiayan Shi, Rachid Amine, Zhou Yu, Lei Cheng, Juchen Guo, et al. Energy and Environmental Science 14, no. 5 May 1, 2021: 3029-3034. doi: 10.1039/d0ee03890c.
2014-2017
Publications (3/2014 to 3/2017) from BES Project on “Cluster/Carbon Composites for Energy” (Note that the group has numerous other publications from other projects and can be found in the the publication lists of the individual staff members)
“Modification of Gas Aggregation Sources: High Pressure and Reactive Gas Magnetron Sputtering”, L. Kolipaka and S. Vajda, in “Gas Phase Synthesis of Nanoparticles”, Wiley-VCH, Ed.: Y. Huttel, Chapter 2, ISBN: 978-3-527-34060-6, in press, to be published in April 2017, invited chapter.
“Alumina-Supported Sub-nanometer Pt10 Clusters: Amorphization and Role of the Support Material in a Highly Active CO Oxidation Catalyst”, C. Yin, F. R. Negreiros, G. Barcaro, A. Beniya, L. Sementa, E. C. Tyo, S. Bartling, K.-H. Meiwes-Broer, S. Seifert, H. Hirata, N. Isomura, S. Nigam, C. Majumder, Y. Watanabe, A. Fortunelli, and S. Vajda, J. Mater. Chem. A (2017), DOI: 10.1039/C6TA10989F, published on-line February 3, 2017.
“Tailoring the Edge Structure of Molybdenum Disulfide toward Electrocatalytic Reduction of Carbon Dioxide”, P. Abbasi, M. Asadi, C. Liu, S. Sharifi-As, B. Sayahpour, A. Behranginia, P. Zapol, R. Shahbazian-Yassar, L. A. Curtiss, and A. Salehi-Khojin, ACS Nano 11, 453-460 (2017), DOI: 10.1021/acsnano.6b06392.
“Reclustering as the origin of fluorescence intermittency in reduced graphene oxide”, A. Ruth, M. Hayashi, P. Zapol, J. Si, M. P. McDonald, Y. V. Morozov, M. Kuno, B. Janko, Nat. Commun. 8, 14521 (2017) DOI: 10.1038/ncomms14521, published on-line February 22, 2017
“Bandgap Inhomogeneity of a PbSe Quantum Dot Ensemble from Two-Dimensional Spectroscopy and Comparison to Size Inhomogeneity from Electron Microscopy”, S. Park, D. Baranov, J. Ryu, B. Ch, A. Halder, S. Seifert, S. Vajda, D. Jonas, Nano Lett. 17, 562-571 (2017), DOI: 10.1021/acs.nanolett.6b03874.
2016
“Energies and densities of electrons confined in elliptical and ellipsoidal quantum dots” A. Halder, V. V. Kresin, J. Phys.: Condens. Matter 28, 395302, 8 pages (2016), DOI: 10.1088/0953-8984/28/39/395302. article featured in Research Highlights of the Journal.
“Temperature-dependent evolution of the oxidation state of cobalt and platinum in Co1-xPtx bimetallic clusters under H2 and CO + H2 atmospheres” B. Yang, G. Khadra, J. Tuaillon-Combes, E. Tyo, M.J. Pellin, B. Reinhart, S. Seifert, X. Chen, V. Dupuis, S. Vajda, J. Phys. Chem. C 120 (38), 21496–21504 (2016) , DOI: 10.1021/acs.jpcc.6b06483.
“Shift‐and‐invert parallel spectral transformation eigensolver: Massively parallel performance for density‐functional based tight‐binding”, M. Keçeli, H. Zhang, P. Zapol, D.A. Dixon, A.F. Wagner, J. Comp.Chem. 37 (4), 448-459 (2016). DOI: 10.1002/jcc.24254.
“Superoxide (electro)chemistry on well-defined surfaces in organic environments”, B. Genorio, J. S. Jirkovský, R. S. Assary, J. G. Connell, D. Strmcnik, C. E. Diesendruck, V. R. Stamenkovic, J. S. Moore, L. A. Curtiss, and N. M. Markovic, J. Phys. Chem. C 120, 15909-15914 (2016), DOI: 10.1021/acs.jpcc.5b12230.
“Water Oxidation by Size Selected Co27 Clusters Supported on Fe2O3”, M. J. Pellin, S. C. Riha, E. C. Tyo, G. Kwon, J. A. Libera, J. W. Elam, S. Seifert, S. Lee, and S. Vajda ChemSusChem, 9, 3005-3011 (2016). DOI: 10.1002/cssc.201600982.
“Improved precision and accuracy in quantifying plutonium isotope ratios by RIMS”, B. H. Isselhardt, M. R. Savina, A. Kucher, S. D. Gates, K. B. Knight, I. Hutcheon, J. Radioanal. Nucl. Chem. 307, 2487-2494 (2016), DOI: 10.1007/s10967-015-4393-x.
“Rate equation model of laser induced bias in uranium isotope ratios measured by resonance ionization mass spectrometry”, B. H. Isselhardt, S. G.Prussin, M. R. Savina, D. G. Willingham, K. B. Knight, I. Hutcheon, J. Anal. At. Spectrom. 31, 666-678 (2016), DOI: 10.1039/c5ja00249d.
“Electrochemical Behaviour of Naked Sub-Nanometre Sized Copper Clusters and Effect of CO2”, R. Passalacqua, S. Parathoner, G. Centi, A. Halder, E. C. Tyo, B. Yang, S. Seifert and S. Vajda, Catal. Sci.Technol. 6, 6977-6985 (2016), DOI: 10.1039/c6cy00942e, invited article.
“Transition metal dichalcogenides as highly active catalysts for carbon dioxide reduction”, M. Asadi, K. Kim, C. Liu, A. V. Addepalli, P. Abbasi, P. Yasaei, P. Phillips, A. Behranginia, J. M. Cerrato, R. Haasch, P. Zapol, B. Kumar, R. F. Klie, J. Abiade, L. A. Curtiss, A. Salehi-Khojin, Science 353, 467-470 (2016), DOI: 10.1126/science.aaf4767.
“Atomistic and Electronic Structure Methods for Nanostructured Oxide Interfaces”, G. Barcaro, L. Sementa, F. Ribeiro Negreiros, I. O. Thomas, S. Vajda, A. Fortunelli, In “Oxide Materials at the Two-dimensional Limit”, Springer Series of Materials Science, Springer International Publishing, Eds: F. P. Netzer and A. Fortunelli, Chapter 2, pp. 39-90 (2016) DOI 10.1007/978-3-319-28332-6-2, invited chapter.
“Metal-induced rapid transformation of diamond into single and multilayer graphene on wafer scale”, D. Berman, S. A. Deshmukh, B.Narayanan, Skrs Sankaranarayanan, Z. Yan, A. A. Balandin, A. V. Zinovev, D. Rosenmann, A. V. Sumant, Nat. Commun. 7, 12099 (2016), DOI: 10.1038/ncomms12099.
“Editorial: Nanocatalysis”, A. Fortunelli and S. Vajda, Catal. Sci.Technol. 6, 6763-6765 (2016), DOI: 10.1039/c6cy90085b, invited article & journal front cover.
“In Situ Study of the Electronic Structure of Atomic Layer Deposited Oxide Ultrathin Films upon Oxygen Adsorption Using Ambient Pressure XPS”,B.H. Mao, E. Crumlin, M. J. Pellin, E. C. Tyo, S. Vajda, Y. Li, S.-D. Wang, and Zhi Liu, Catal. Sci.Technol. 6, 6778–6783 (2016), DOI: 10.1039/c6cy00575f, invited article.
“Cathode Based on Molybdenum Disulfide Nanoflakes for Lithium–Oxygen Batteries”, M. Asadi, B. Kumar, C. Liu, P. Phillips, P. Yasaei, A. Behranginia, P. Zapol, R. F. Klie, L. A. Curtiss, A. Salehi-Khojin, ACS Nano 10, 2167–2175 (2016), DOI: 10.1021/acsnano.5b06672.
“High-mass heterogeneous cluster formation by ion bombardment of the ternary alloy Au7Cu5Al4,” A. V. Zinovev, B. V. King, I. V. Veryovkin, M. J. Pellin, J. Vac. Sci, Technol. B, 34, 03H108 (2016), DOI: 10.1116/1.4941140.
2015
“Migration of Single Iridium Atoms and Tri-iridium Clusters on MgO Surfaces: Aberration-Corrected STEM Imaging and Ab Initio Calculations,” C. W. Han, H. Iddir, A. Uzun, L. A. Curtiss, N. D. Browning, B. C. Gates, and V. Ortalan, J. Phys. Chem. Lett. 6, 4675–4679 (2015), DOI: 10.1021/acs.jpclett.5b01884.
“Carbon Dioxide Conversion to Methanol over Size-selected Cu4 Clusters at Low Pressures,” C. Liu, B. Yang, E. Tyo, S. Seifert, J. E. Ernst, B. von Issendorff, P. Zapol, S. Vajda and L. A. Curtiss, J. Am. Chem. Soc. 137, 8676−8679 (2015), DOI: 10.1021/jacs.5b03668.
“Direct Observation of Photoinduced Charge Separation in Ruthenium Complex / Ni(OH)2 Nanoparticle Hybrid”, Y. Tang, B. Pattengale, J. Ludwig, A. Atifi, A. V. Zinovev, B. Dong, Q. Y. Kong, X. B. Zuo, X. Y. Zhang, J. Huang, Sci. Rep. 5, 18505 (2015), DOI: 10.1038/srep18505.
“Water as promoter and catalyst in dioxygen electrochemistry at aqueous and organic electrified interfaces”, J. S. Jirkovský, R. Subbaraman, D. Strmcnik, K. L. Harrison, C. E. Diesendruck, R. Assary, O. Frank , L. Kobr, G. K. H. Wiberg, B. Genorio, V. R. Stamenkovic, L. A. Curtiss, J. S. Moore, K. R. Zavadil, and N. M. Markovic, ACS Catal. 5, 6600−6607 (2015), DOI: 10.1021/acscatal.5b01779.
“Highly Efficient Hydrogen Evolution Reaction Using Crystalline Layered Three-Dimensional Molybdenum Disulfides Grown on Graphene Film”, A. Behranginia ; M. Asadi ; C. Liu ; P. Yasaei ; B. Kumar ; P. Phillips ; T. Foroozan ; J. C. Waranius ; K. Kim ; J. Abiade ; R. F. Klie ; L. A. Curtiss ; A. Salehi-Khojin, Chem.Mater., 28, 549-555 (2015), DOI: 10.1021/acs.chemmater.5b03997.
“Pronounced Size Dependence in Structural and Morphological Transitions of Gas-Phase Produced and Partially Oxidized Co Nanoparticles under Catalytic Reaction Conditions,” S. Bartling, C. Yin, I. Barke, K. Oldenburg, H. Hartmann, V. von Oeynhausen, M.-. Pohl, K. Houben, E. C. Tyo, S. Seifert, P. Lievens, K.-H. Meiwes-Broer and S. Vajda, ACS Nano 9, 5984–5998, (2015), DOI: 10.1021/acsnano.5b00791.
“Fischer−Tropsch Synthesis at a Low Pressure on Subnanometer Cobalt Oxide Clusters: The Effect of Cluster Size and Support on Activity and Selectivity” S. Lee, B. Lee, S. Seifert, R.E. Winans and S. Vajda, J. Phys. Chem. C 119, 11210–11216 (2015), DOI: 10.1021/jp512157d, invited article.
“Nanoscale Friction Properties of Graphene and Graphene Oxide”, D. Berman, A. Erdemir, A. V. Zinovev, A. V. Sumant, Diamond Relat. Mater. 54, 91-96 (2015), DOI: 10.1016/j.diamond.2014.10.012.
“Correlated Strontium And Barium Isotopic Compositions Of Acid-Cleaned Single Mainstream Silicon Carbides From Murchison”, N. Liu, M. R. Savina, R. Gallino, A. M. Davis, S. Bisterzo, F. Gyngard, F. Kappeler, S. Cristallo, N. Dauphas, M. J. Pellin, I. Dillmann, Astrophys. J. 803, Article Number: 12, 23 pages (2015), DOI: 10.1088/0004-637x/803/1/12.
“Catalysis by Clusters with Precise Number of Atoms” E. C. Tyo and S. Vajda, Nat. Nano. 10, 577-588 (2015), DOI:10.1038/nnano.2015.140, invited review.
“Understanding and mitigating some of the key factors that limit non-aqueous lithium-air battery performance”, J. Lu, K. C. Lau, Y.-K. Sun, L. A Curtiss and K. Amine, J. Electrochem. Soc. 162, A1-A8 (2015), DOI: 10.1149/2.0061514jes.
“Catalysis Applications of Size-selected Cluster Deposition” S. Vajda and M.G. White, ACS Catal. 5, 7152-7176 (2015) DOI:10.1021/acscatal.5b01816, invited perspective.
2014
“Effect of the Size-Selective Silver Clusters on Li2O2 Morphology in Lithium- Oxygen Batteries”, J. Lu, L. Cheng, K.C. Lau, E. C. Tyo, X. Luo, J. Wen, D. Miller, R. Assary, H.H. Wang, P. Redfern, H. Wu, J.B. Park, Y.K. Sun, S. Vajda, K. Amine, L. A. Curtiss, Nat. Commun. 5, 4895 (2014), DOI:10.1038/ncomms5895.
“Combination of imaging mass spectrometry and electron microscopy for quasi nondestructive surface analysis”, S. V. Baryshev, A. V. Zinovev, C. E. Tripa, I. V. Veryovkin, Nucl. Instrum. Meth. B. 332, 364, (2014) DOI: 10.1016/j.nimb.2014.02.097.
“TOF SIMS characterization of SEI layer on battery electrodes”, I. V. Veryovkin, C. E. Tripa, A. V. Zinovev, S. V. Baryshev, Y. Li, D. P. Abraham, Nucl. Instrum. Meth. B 332, 368, (2014) DOI: dx.doi.org/10.1016/j.nimb.2014.02.098.
“Atomically Precise (Catalytic) Particles Synthesized by a Novel Cluster Deposition Instrument“ C. Yin, E. C. Tyo, K. Kuchta, B. von Issendorff, and S. Vajda, J. Chem. Phys. 140, 174201-1-7 (2014)
“Computational studies of electrochemical CO2 reduction on subnanometer transition metal clusters”, C. Liu, H. He, P. Zapol and L. A. Curtiss, Phys. Chem. Chem. Phys. 16, 26584-26599 (2014). DOI: 10.1039/C4CP02690J, invited article.
“Support and Oxidation Effects on Subnanometer Palladium Nanoparticles”, C. J. Heard, S. Vajda, R. L. Johnston, J Phys. Chem. C 118, 3581-3589 (2014), DOI: 10.1021/jp41101
“PdnAg(4-n) and PdnPt(4-n) clusters on MgO (100): A density functional surface genetic algorithm investigation”, C. J. Heard,_ S. Heiles, S. Vajda and R. L. Johnston, Nanoscale 6, 11777–11788 (2014), DOI: 10.1039/C4NR03363A.
“Electrocatalytic activity of surface oxides on platinum nanofacets and surfaces”, V. Komanicky, D.C. Hennessy, H. Iddir, ; P. Zapol,; H. You, Electrochim. Acta 109, 440-446 (2013) DOI: 10.1016/j.electacta.2013.07.098.
“Size-Selected Clusters and Particles: From Physical Chemistry and Chemical Physics to Catalysis”, J. A. Van Bokhoven and S. Vajda, Phys. Chem. Chem. Phys. 16, 26418-26420 (2014), DOI: 10.1039/c4cp90163k.
“A near ambient pressure XPS study of silver clusters on Al2O3 and TiO2 ultrathin film supports”, B. H. Mao, R. Chang, L. Shi, Q. Q. Zhuo, S. Rani, X. S. Liu, E. C. Tyo, S. Vajda, S. D. Wang, and Z. Liu, Phys. Chem. Chem. Phys. 16, 26645-26652 (2014), DOI: 10.1039/c4cp02325k, invited article.
“Barium Isotopic Composition Of Mainstream Silicon Carbides From Murchison: Constraints For S-Process Nucleosynthesis In Asymptotic Giant Branch Stars” , N. Liu, M. R. Savina, A. Davis, R. Gallino; O. Straniero, F. Gyngard; M. J. Pellin; D. G. Willingham, N. Dauphas, M. Pignatari, S. Bisterzo, S. Cristallo, F. Herwig, Astrophys. J. 786, Article Number: 66, 20 pages (2014) DOI: 10.1088/0004-637X/786/1/66.
“Atom-probe Analyses of Nanodiamonds from Allende”, P. R. Heck, F. J. Stadermann, D. Isheim, O. Auciello, T. L. Daulton, A. M. Davis, J. W. Elam, C. Floss, J. Hiller, D. J. Larson; J. B. Lewis, A. Mane, M. J. Pellin, M. R. Savina, D. N. Seidman; T. Stephan, Meteorit. Planet. Sci. 49 453-467 (2014) DOI: 10.1111/maps.
“The Impact of Updated Zr Neutron-Capture Cross Sections and New Asymptotic Giant Branch Models on Our Understanding of The S Process and the Origin of Stardust”, M. Lugaro, G. Tagliente, A. I. Karakas, P. M. Milazzo, F. Kappeler, A. M. Davis, M. R. Savina, Astrophys. J. 780 Article Number: 95, 14 pages (2014), DOI: 10.1088/0004-637X/780/1/95 .
“Physical Fabrication of Nanostructured Heterogeneous Catalysts” C. Yin, E. C. Tyo and S. Vajda Chapter 3 in “Heterogeneous Catalysis at the Nanoscale for Energy Applications”, Eds. F. Tao, W. Schneider, and P. Kamat, Wiley-VCH, ISBN 0470952601, ISBN 978-0470952603 (2014), invited chapter.
“Size and Support Dependent Evolution of the Oxidation State and Structure by Oxidation of Subnanometer Cobalt Clusters”, C. Yin, F. Zheng, S. Lee, J. Guo, W.C. Wang, G. Kwon, V. Vajda, H. Wang, B. Lee, J. DeBartolo, S. Seifert, R. E. Winans, and S. Vajda, J. Phys. Chem. A 118, 8477−8484 (2014), DOI: dx.doi.org/10.1021/jp501817u.
“Explicit expressions for totally symmetric spherical functions and symmetry-dependent properties of multipoles”, B. Zapol, P. Zapol, P. Roy. Soc. A-Math. Phys. 470 20140435, 17 pages (2014) DOI: 10.1098/rspa.2014.0435.