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Proceedings of the National Academy of Sciences of the United States of America, ISSN 0027-8424, 12/2012, Volume 109, Issue 52, pp. 21240 - 21245
Journal Article
Proceedings of the National Academy of Sciences of the United States of America, ISSN 0027-8424, 12/2006, Volume 103, Issue 52, pp. 19664 - 19667
Journal Article
Accounts of Chemical Research, ISSN 0001-4842, 08/2014, Volume 47, Issue 8, pp. 2505 - 2513
Conspectus Understanding phase behavior of highly confined water, ice, amorphous ice, and clathrate hydrates (or gas hydrates), not only enriches our view of... 
TRANSITION | SUPERCOOLED WATER | PRESSURE | BILAYER ICE | LIQUID | GRAPHENE | CHEMISTRY, MULTIDISCIPLINARY | CARBON NANOTUBES | PHASE-DIAGRAM | MICA SURFACE | Gases - chemistry | Quantum Theory | Hydrogen Bonding | Water - chemistry | Ice | Static Electricity | Phase Transition | Molecular Dynamics Simulation | Gas hydrates | Chemical properties | Research
Journal Article
Proceedings of the National Academy of Sciences of the United States of America, ISSN 0027-8424, 4/2017, Volume 114, Issue 16, pp. 4066 - 4071
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 05/2014, Volume 140, Issue 18, p. 184507
Liquid-solid and solid-solid phase transitions of a monolayer water confined between two parallel hydrophobic surfaces are studied by molecular dynamics... 
DEFECTS | HEXAGONAL ICE | MULTIBARIC-MULTITHERMAL ENSEMBLE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | MOLECULAR-DYNAMICS SIMULATIONS | SLIT PORES | DIAGRAM | Oxygen | Water chemistry | Radial distribution | Computer simulation | Crystallization | Molecular dynamics | Melting points | Phase transitions | Density | Free energy | Monolayers | Porosity | Solid phases
Journal Article
Proceedings of the National Academy of Sciences of the United States of America, ISSN 0027-8424, 3/2010, Volume 107, Issue 13, pp. 5718 - 5722
Journal Article
Proceedings of the National Academy of Sciences of the United States of America, ISSN 0027-8424, 10/2018, Volume 115, Issue 41, pp. 10263 - 10268
Both carbon dioxide (CO2) and water (H2O) are triatomic molecules that are ubiquitous in nature, and both are among the five most abundant gases in the Earth's... 
two-dimensional dry ice | HIGH-PRESSURE | DENSITY LIQUID | CRYSTAL-STRUCTURE | MULTIDISCIPLINARY SCIENCES | CO2 sequestration | polymorphic transition | polyamorphic transition | slit nanopores | CONFINED WATER | SPECTROSCOPY | SOLID CO2 | DYNAMICS | GLASSY WATER | MONOLAYER | CARBON-DIOXIDE | Chemical properties | Observations | Polymorphism (Crystallography) | Dry ice | Physical Sciences
Journal Article
ACS Nano, ISSN 1936-0851, 11/2015, Volume 9, Issue 12, pp. 12197 - 12204
Evaluation of the tensile/compression limit of a solid under conditions of tension or compression is often performed to provide mechanical properties that are... 
2D water and ice | constrained water | metastability (phase) diagram | compression limit | graphene | PHASE-TRANSITIONS | MATERIALS SCIENCE, MULTIDISCIPLINARY | LIQUID | CLATHRATE | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | ICE | SIMULATION | CHEMISTRY, MULTIDISCIPLINARY | COEXISTENCE | CONFINED WATER | NEGATIVE PRESSURES | NUCLEATION | DIAGRAM
Journal Article
Nature Communications, ISSN 2041-1723, 12/2019, Volume 10, Issue 1, pp. 1925 - 7
Journal Article
Proceedings of the National Academy of Sciences of the United States of America, ISSN 0027-8424, 10/2018, Volume 115, Issue 41, p. 10263
Both carbon dioxide (CO2) and water (H2O) are triatomic molecules that are ubiquitous in nature, and both are among the five most abundant gases in the Earth’s... 
Amorphous structure | Carbon dioxide | Crystals | Molecular dynamics | Ice | Crystallinity | Carbon sequestration | Hydrogen bonding | Pressure | Phase transitions | Ice formation | Pressure dependence | Gases | Hydrogen bonds | Simulation | Triatomic molecules | Porosity | Polymorphism | Crystal structure | Low temperature | Dry ice | Solid phases
Journal Article
Chemical Science, ISSN 2041-6520, 04/2014, Volume 5, Issue 5, pp. 1757 - 1764
Two new phases of water, the mid-density hexagonal monolayer ice and the high-density flat rhombic monolayer ice, are observed in our molecular dynamics... 
Phases | Ferroelectricity | Molecular structure | Ferroelectric materials | Simulation | Monolayers | Molecular dynamics | Walls
Journal Article
Chemical Science, ISSN 2041-6520, 05/2014, Volume 5, Issue 5, pp. 1757 - 1764
Two new phases of water, the mid-density hexagonal monolayer ice and the high-density flat rhombic monolayer ice, are observed in our molecular dynamics... 
TRANSITION | MOLECULAR-DYNAMICS | CONFINED WATER | TEMPERATURE | BILAYER ICE | LIQUID WATER | SURFACE | POTENTIAL FUNCTIONS | SIMULATIONS | CHEMISTRY, MULTIDISCIPLINARY | CARBON NANOTUBES
Journal Article
Proceedings of the National Academy of Sciences of the United States of America, ISSN 0027-8424, 12/2012, Volume 109, Issue 52, p. 21240
  A distinctive physical property of bulk water is its rich solid-state phase behavior, which includes 15 crystalline (ice I-ice XIV) and at least 3 glassy... 
Thermodynamics | Computer simulation | Nanotubes | Crystallization | Ice | Phase transitions | Polymorphism
Journal Article
Proceedings of the National Academy of Sciences of the United States of America, ISSN 0027-8424, 05/2018, Volume 115, Issue 19, pp. 4839 - 4844
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 2016, Volume 18, Issue 32, pp. 22039 - 22046
Water, when constrained between two graphene sheets and under ultrahigh pressure, can manifest dramatic differences from its bulk counterparts such as the van... 
MOLECULAR-DYNAMICS | HIGH-PRESSURE | CONFINED WATER | CLATHRATE | LIQUID | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | MEMBRANES | CHEMISTRY, PHYSICAL | NANOPORES | AMORPHOUS ICE | CARBON NANOTUBES | PHASE-DIAGRAM
Journal Article
The Journal of Physical Chemistry C, ISSN 1932-7447, 03/2018, Volume 122, Issue 12, pp. 6704 - 6712
Despite recent experimental evidence of the two-dimensional (2D) square ice in graphene nanocapillaries, based on transmission electron microscopy (TEM)... 
MOLECULAR-DYNAMICS | MONOLAYER ICE | MATERIALS SCIENCE, MULTIDISCIPLINARY | CLATHRATE | GRAPHENE | CRYSTALS | CHEMISTRY, PHYSICAL | NANOTUBES | NANOSCIENCE & NANOTECHNOLOGY | POLYMORPHISM | PHASE-DIAGRAM | SURFACES
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 08/2016, Volume 18, Issue 32, pp. 22039 - 22046
Water, when constrained between two graphene sheets and under ultrahigh pressure, can manifest dramatic differences from its bulk counterparts such as the van... 
Constraints | Molecular structure | Compressing | Graphene | Monolayers | Molecular dynamics | Nanostructure | Two dimensional
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 07/2014, Volume 136, Issue 30, pp. 10661 - 10668
We present molecular dynamics simulation evidence of spontaneous formation of quasi-one-dimensional (Q1D) hydrogen gas hydrates within single-walled carbon... 
STORAGE | APPROXIMATION | CLUSTERS | MOLECULAR-HYDROGEN | BILAYER ICE | CLATHRATE | ICE NANOTUBES | SIMULATION | CHEMISTRY, MULTIDISCIPLINARY | Chemical properties | Hydrogen | Analysis | Nanotubes | Hydrates
Journal Article
The Journal of Physical Chemistry C, ISSN 1932-7447, 04/2016, Volume 120, Issue 15, pp. 8109 - 8115
Using molecular dynamics simulation, we investigate the phase behavior of water confined in graphene nanocapillaries at room temperature (300 K). Here, the... 
MOLECULAR-DYNAMICS | BEHAVIOR | MATERIALS SCIENCE, MULTIDISCIPLINARY | LIQUID | CLATHRATE | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | CARBON NANOTUBES | COEXISTENCE | PHASE | CONFINED WATER | BILAYER ICE | TRANSITIONS
Journal Article
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