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J. J. De Yoreo
Lawrence Livermore National Laboratory
ChemistryMaterials scienceCrystal growthCrystalCrystallography
77Publications
24H-index
2,264Citations
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Publications 85
Newest
#1Patricia M. DoveH-Index: 46
#2C.R. BlueH-Index: 4
Last. J. J. De YoreoH-Index: 24
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#1Patricia M. DoveH-Index: 46
#2Anthony J. GiuffreH-Index: 11
Last. J. J. De YoreoH-Index: 24
view all 5 authors...
#1Yung-Ching Chien (UCSF: University of California, San Francisco)H-Index: 5
#2Kuniko Saeki (UCSF: University of California, San Francisco)H-Index: 9
Last. Grayson W. Marshall (UCSF: University of California, San Francisco)H-Index: 59
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Source
#1Patricia M. DoveH-Index: 46
#2Laura M. HammH-Index: 8
Last. J. J. De YoreoH-Index: 24
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#1Anthony J. GiuffreH-Index: 11
#2J. J. De YoreoH-Index: 24
Last. Patricia M. DoveH-Index: 46
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#1Adam F. Wallace (UD: University of Delaware)H-Index: 17
#2Lester O. Hedges (LBNL: Lawrence Berkeley National Laboratory)H-Index: 13
Last. J. J. De Yoreo (PNNL: Pacific Northwest National Laboratory)H-Index: 24
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Recent experimental observations of the onset of calcium carbonate (CaCO3) mineralization suggest the emergence of a population of clusters that are stable rather than unstable as predicted by classical nucleation theory. This study uses molecular dynamics simulations to probe the structure, dynamics, and energetics of hydrated CaCO3 clusters and lattice gas simulations to explore the behavior of cluster populations before nucleation. Our results predict formation of a dense liquid phase through...
218 CitationsSource
#1Colin L. FreemanH-Index: 25
#2Qiaona HuH-Index: 7
Last. John H. HardingH-Index: 42
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A series of molecular dynamics simulations has been performed to analyze in detail the structure of 16-mercaptohexadecanoic acid (even) and 15-mercaptopentadecanoic acid (odd) self-assembled monolayers (SAMs) and their interface with calcium carbonate prior to crystallization. Small structural differences are noted between the odd and even SAMs that cause the headgroup arrangement of the odd SAM to change its local coordination from six nearest neighbors to a 5 + 1 arrangement. It is observed th...
9 CitationsSource
#1N. Han (VT: Virginia Tech)H-Index: 8
#2C.R. Blue (VT: Virginia Tech)H-Index: 4
Last. Patricia M. Dove (VT: Virginia Tech)H-Index: 46
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Abstract In some skeletal-forming and sedimentary environments, calcite and other CaCO3 polymorphs are produced from an amorphous calcium carbonate (ACC) phase. This experimental study determined the Mg content of calcites that grew in the presence of ACC with/without carboxylated biomolecules. The Mg content of the initial ACC obeys a simple fractionation for all conditions except in the presence of oxydiacetate. For all solution compositions, this ACC transforms into calcite crystallites that ...
9 CitationsSource
#1Mike NielsenH-Index: 1
#2Qiaona HuH-Index: 7
Last. J. J. De YoreoH-Index: 24
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#1Adam F. WallaceH-Index: 17
#2Jillian F. BanfieldH-Index: 109
Last. J. J. De YoreoH-Index: 24
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