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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

Imidazolium Ionic Liquid Mediates Black Phosphorus Exfoliation while Preventing Phosphorene Decomposition

Journal Article published 6 Jun 2017 in ACS Nano volume 11 issue 6 on pages 6459 to 6466

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

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

Microstructural analysis of recycled concrete using X-ray microtomography

Journal Article published Mar 2016 in Cement and Concrete Research volume 81 on pages 38 to 48

Research funded by Conselho Nacional de Desenvolvimento Científico e Tecnológico (201566/2012-5) | Coordenação de Aperfeiçoamento de Pessoal de Nível Superior | Basic Energy Sciences (DE-AC02-05CH11231)

Authors: M.B. Leite, P.J.M. Monteiro

Thermal Photonics and Energy Applications

Journal Article published Oct 2017 in Joule volume 1 issue 2 on pages 264 to 273

Research funded by Stanford University | Department of Energy (DE-AR0000316, DE-AR0000533, DE-AR0000731) | Basic Energy Sciences (DE-FG02-07ER46426) | Energy Frontier Research Center (DE-SC0001293) | National Science Foundation (CMMI-1562204)

Authors: Shanhui Fan

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

Journal Article published 13 Apr 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

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

Structural, vibrational, and electronic properties of BaReH9under 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

Changes in charge density vs changes in formal oxidation states: The case of Sn halide perovskites and their ordered vacancy analogues

Journal Article published 5 Jul 2017 in Physical Review Materials volume 1 issue 2

Research funded by U.S. Department of Energy (DE-EE0007366, SC0012541, DE-AC02-05CH11231) | Basic Energy Sciences (DE-SC0010467) | Fundação de Amparo à Pesquisa do Estado de São Paulo | Conselho Nacional de Desenvolvimento Científico e Tecnológico

Authors: Gustavo M. Dalpian, Qihang Liu, Constantinos C. Stoumpos, Alexios P. Douvalis, Mahalingam Balasubramanian, Mercouri G. Kanatzidis, Alex Zunger