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Imidazolium Ionic Liquid Mediates Black Phosphorus Exfoliation while Preventing Phosphorene Decomposition

Journal Article published 6 Jun 2017 in ACS Nano

Research funded by Basic Energy Sciences (DE-SC00014607) | Conselho Nacional de Desenvolvimento Científico e Tecnológico | Fundação de Amparo à Pesquisa do Estado de São Paulo | Coordenação de Aperfeiçoamento de Pessoal de Nível Superior

Authors: Vitaly V. Chaban, Eudes Eterno Fileti, Oleg V. Prezhdo

Buckybomb: Reactive Molecular Dynamics Simulation

Journal Article published 5 Mar 2015 in The Journal of Physical Chemistry Letters volume 6 issue 5 on pages 913 to 917

Research funded by Basic Energy Sciences (DE-SC0006527) | Conselho Nacional de Desenvolvimento Científico e Tecnológico | Fundação de Amparo à Pesquisa do Estado de São Paulo | Coordenação de Aperfeiçoamento de Pessoal de Nível Superior | Russian Science Foundation (14-43-00052)

Authors: Vitaly V. Chaban, Eudes Eterno Fileti, Oleg V. Prezhdo

Current progress and future challenges in thermoelectric power generation: From materials to devices

Journal Article published Apr 2015 in Acta Materialia volume 87 on pages 357 to 376

Research funded by Basic Energy Sciences (DE-SC0001299, DE-FG02-09ER46577) | U.S. Department of Energy (DOE DE-SC0010831, DE-FG02-13ER46917, DE-EE0005806)

Authors: Weishu Liu, Qing Jie, Hee Seok Kim, Zhifeng Ren

Homoleptic versus Heteroleptic Formation of Mononuclear Fe(II) Complexes with Tris-Imine Ligands

Journal Article published 2 May 2016 in Inorganic Chemistry volume 55 issue 9 on pages 4110 to 4116

Research funded by European Research Council (258060) | Basic Energy Sciences (DE-AC02-05CH11231) | Ministerio de Economía y Competitividad (CTQ2012-32247, MAT2011-24284) | Ministerio de Educación, Cultura y Deporte | Generalitat de Catalunya | Institució Catalana de Recerca i Estudis Avançats | Gobierno de La Rioja | Gobierno de Navarra | Gobierno de Aragón

Authors: Leoní A. Barrios, Carlos Bartual-Murgui, Eugènia Peyrecave-Lleixà, Boris Le Guennic, Simon J. Teat, Olivier Roubeau, Guillem Aromí

Structural, vibrational, and electronic properties of BaReH9 under pressure

Journal Article published 28 Oct 2016 in Journal of Physics: Condensed Matter volume 28 issue 50 on page 505701

Research funded by Division of Earth Sciences (EAR01-35554) | National Nuclear Security Administration (DE-NA-00006, DE-NA-0001974) | Office of Science (DE-AC02-06CH11357) | Basic Energy Sciences (DE-FG02-06ER46280, DE-SC0001057, DE-FG02-99ER45775)

Authors: Eugene A Vinitsky, Takaki Muramatsu, Maddury Somayazulu, Wilson K Wanene, Zhenxian Liu, Dhanesh Chandra, Russell J Hemley

Electronic and structural ground state of heavy alkali metals at high pressure

Journal Article published 17 Feb 2015 in Physical Review B volume 91 issue 8

Research funded by Argonne National Laboratory | U.S. Department of Energy | Basic Energy Sciences (DE-AC02-06CH11357, DE-FG02-99ER45775) | National Science Foundation (DMR-1104742) | National Nuclear Security Administration (DE-FC52-08NA28554, DE-NA0001974) | Fundação de Amparo à Pesquisa do Estado de São Paulo (2013/14338-3)

Authors: G. Fabbris, J. Lim, L. S. I. Veiga, D. Haskel, J. S. Schilling

Structural transition and amorphization in compressedα−Sb2O3

Journal Article published 27 May 2015 in Physical Review B volume 91 issue 18

Research funded by Basic Energy Sciences (DE-AC02-76SF00515) | U.S. Department of Energy (DE-SG0001057, DOE-NNSA DE-NA0001974, DOE-BES DE-FG02-99ER45775, DE-AC02-06CH11357, DE-AC02-05CH11231) | Army Research Office (W911NF-09-1-0508) | National Science Foundation (NSF MRI-1126249)

Authors: Zhao Zhao, Qiaoshi Zeng, Haijun Zhang, Shibing Wang, Shigeto Hirai, Zhidan Zeng, Wendy L. Mao

Structure and Thermochemistry of Perrhenate Sodalite and Mixed Guest Perrhenate/Pertechnetate Sodalite

Journal Article published 17 Jan 2017 in Environmental Science & Technology volume 51 issue 2 on pages 997 to 1006

Research funded by Biological and Environmental Research (DE-AC05-00OR22725, DE-SC0005271) | Basic Energy Sciences (DE-AC02-05CH11231, DE-AC02-06CH11357, DE-AC02-76SF00515, DE-AC02-98CH10886, DE-AC05-00OR22725) | Office of Environmental Management

Authors: Eric M. Pierce, Kristina Lilova, David M. Missimer, Wayne W. Lukens, Lili Wu, Jeffrey Fitts, Claudia Rawn, Ashfia Huq, Donovan N. Leonard, Jeremy R. Eskelsen, Brian F. Woodfield, Carol M. Jantzen, Alexandra Navrotsky

High pressure elasticity and thermal properties of depleted uranium

Journal Article published 28 Apr 2016 in Journal of Applied Physics volume 119 issue 16 on page 165904

Research funded by U.S. Department of Energy (DE-AC02-06CH11357, DE-AC52-06NA25396, DE-NA0001974, Seaborg Fellow Program) | Basic Energy Sciences (DE-FG02-99ER45775)

Authors: M. K. Jacobsen, N. Velisavljevic

CO2induced phase transitions in diamine-appended metal–organic frameworks

Journal Article published 2015 in Chem. Sci. volume 6 issue 9 on pages 5177 to 5185

Research funded by Advanced Scientific Computing Research (DE-AC02-05CH11231) | Basic Energy Sciences (DE-AC02-05CH11231, DE-FG02-84712ER16362, DE-SC0001015)

Authors: Bess Vlaisavljevich, Samuel O. Odoh, Sondre K. Schnell, Allison L. Dzubak, Kyuho Lee, Nora Planas, Jeffrey B. Neaton, Laura Gagliardi, Berend Smit

Synergistic Amination of Graphene: Molecular Dynamics and Thermodynamics

Journal Article published 5 Nov 2015 in The Journal of Physical Chemistry Letters volume 6 issue 21 on pages 4397 to 4403

Research funded by Coordenação de Aperfeiçoamento de Pessoal de Nível Superior | Basic Energy Sciences (DE-SC0014429)

Authors: Vitaly V. Chaban, Oleg V. Prezhdo

Effective constitutive relations for simulating CO2 capillary trapping in heterogeneous reservoirs with fluvial sedimentary architecture

Journal Article published 24 Mar 2017 in Geomechanics and Geophysics for Geo-Energy and Geo-Resources

Research funded by Basic Energy Sciences (DE-SC0C12504, DE-SC0C12504) | Basic Energy Sciences (US) (DE-SC0C12504, DE-SC0C12504)

Authors: Naum I. Gershenzon, Robert W. Ritzi, David F. Dominic, Edward Mehnert

Modelling plume behavior through a heterogeneous sand pack using a commercial invasion percolation model

Journal Article published 14 Mar 2017 in Geomechanics and Geophysics for Geo-Energy and Geo-Resources

Research funded by Basic Energy Sciences (DE-SC0001114, DE-SC0001114) | U.S. Department of Energy (DE-FE0004630, DE-FE0004630) | Division of Earth Sciences (EAR-1045282)

Authors: Luca Trevisan, Tissa H. Illangasekare, Timothy A. Meckel

Photoinduced ultrafast charge-order melting: Charge-order inversion and nonthermal effects

Journal Article published 1 Sep 2016 in Physical Review B volume 94 issue 11

Research funded by U.S. Department of Energy | Basic Energy Sciences (DE-FG02-03ER46097, DE-FG02-08ER46540, DE-SC0007091, DE-AC02-06CH11357) | Argonne National Laboratory

Authors: Michel van Veenendaal

Nature of Activated Manganese Oxide for Oxygen Evolution

Journal Article published 2 Dec 2015 in Journal of the American Chemical Society volume 137 issue 47 on pages 14887 to 14904

Research funded by Basic Energy Sciences (DE-AC02-98CH10886, DE-AC36-086028308, DE-SC0001085, DE-SC0009565)

Authors: Michael Huynh, Chenyang Shi, Simon J. L. Billinge, Daniel G. Nocera

Phonon anharmonicity and negative thermal expansion in SnSe

Journal Article published 9 Aug 2016 in Physical Review B volume 94 issue 5

Research funded by U.S. Department of Energy (DE-AC02-05CH11231, DE-SC0001299, DE-AC02-06CH11357, DE-AC05- 00OR22725) | Office of Science | Basic Energy Sciences

Authors: Dipanshu Bansal, Jiawang Hong, Chen W. Li, Andrew F. May, Wallace Porter, Michael Y. Hu, Douglas L. Abernathy, Olivier Delaire

Geometries, Binding Energies, Ionization Potentials, and Electron Affinities of Metal Clusters: Mgn0, ± 1,n= 1–7

Journal Article published 23 Jun 2016 in The Journal of Physical Chemistry C volume 120 issue 24 on pages 13275 to 13286

Research funded by Basic Energy Sciences (DE-FG02-01ER15228, DE-SC0012702) | Conselho Nacional de Desenvolvimento Científico e Tecnológico | Fundação de Amparo à Pesquisa do Estado de São Paulo

Authors: Kaining Duanmu, Orlando Roberto-Neto, Francisco B. C. Machado, Jared A. Hansen, Jun Shen, Piotr Piecuch, Donald G. Truhlar

SuperconductingBi2Te: Pressure-induced universality in the(Bi2)m(Bi2Te3)nseries

Journal Article published 9 Mar 2016 in Physical Review B volume 93 issue 9

Research funded by Laboratory Directed Research and Development (14-ERD-041) | U.S. Department of Energy | Lawrence Livermore National Laboratory (DE-AC52- 07NA27344) | National Nuclear Security Administration (DE-NA0001974, DE-NA0002014) | Basic Energy Sciences (DE-FG02-99ER45775) | National Science Foundation | Office of Science | Argonne National Laboratory (DE-AC02-06CH11357)

Authors: Ryan L. Stillwell, Zsolt Jenei, Samuel T. Weir, Yogesh K. Vohra, Jason R. Jeffries

Pressure-Resistant Intermediate Valence in the Kondo InsulatorSmB6

Journal Article published 13 Apr 2016 in Physical Review Letters volume 116 issue 15

Research funded by Lawrence Livermore National Laboratory | National Nuclear Security Administration (DE-NA0001974) | Basic Energy Sciences (DE-FG02-99ER45775) | U.S. Department of Energy (DE-AC02-06CH11357, DE-AC52-07NA27344, DE-AC02-05CH11231) | Air Force Office of Scientific Research (FA9550-09-1-0603) | National Science Foundation

Authors: Nicholas P. Butch, Johnpierre Paglione, Paul Chow, Yuming Xiao, Chris A. Marianetti, Corwin H. Booth, Jason R. Jeffries

Transparent Metal–Organic Framework/Polymer Mixed Matrix Membranes as Water Vapor Barriers

Journal Article published 27 Apr 2016 in ACS Applied Materials & Interfaces volume 8 issue 16 on pages 10098 to 10103

Research funded by Basic Energy Sciences (DE-AC02-05CH11231, DE-AC36-08GO28308, DE-EE0004946, DE-SC0001015) | Laboratory Directed Research and Development (DE-AC02-05CH11231) | Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung (PYAPP2_160581)

Authors: Youn Jue Bae, Eun Seon Cho, Fen Qiu, Daniel T. Sun, Teresa E. Williams, Jeffrey J. Urban, Wendy L. Queen