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Chemistry

Chemistry: explore 185 source-linked works published from 1988 to 2026, with original documents and citations.

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Includes records with this source-supplied label or an explicit phrase match in their metadata. Matches indicate a mention, not proof that a paper uses a method or tests a material. Source versions are consolidated by DOI.

Sources: osti. Collection updated 2026-09-15. Counts describe this index, not the complete source archives.

Surface phase diagrams from nested sampling

From nested sampling, we compute the partition function and, from that, the phase diagram of gas adsorbates, including their anharmonic and configurational degrees of freedom, on flat and stepped surfaces of the Lennard-Jones solid.

Chemistry
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WorkPublishedSource identifierSource
Interface engineering of lithium metal anodes via atomic and molecular layer deposition2024-01-01SC0023439osti
A Bayesian method for selecting data points for thermodynamic modeling of off-stoichiometric metal oxides2024-01-01EE0010732; SC0022158osti
Understanding the fast kinetics and mechanism of sodium storage in antimony using ab initio grand canonical Monte Carlo simulation and operando X-ray scattering2024-01-01SC0019281osti
Incorporating solvent effects in DFT: insights from cation exchange in faujasites2024-01-01SC0016574osti
Reactive silver inks: a path to solar cells with 82% less silver2024-01-01EE0008166osti
A rechargeable liquid metal–CO 2 battery for energy storage and CO 2 reduction to carbon2024-01-01FE0031765osti
Advancements in 2D MXene-based supercapacitor electrodes: synthesis, mechanisms, electronic structure engineering, flexible wearable energy storage for real-world applications, and future prospects2024-01-01SC0024072osti
Synergistic design of g-C 3 N 4 -supported CNTs: experimental and DFT insights for enhanced electrochemical performance in flexible Li–S batteries2024-01-01SC0021314osti
Auto-oxidation of redox electrodes for the selective recovery of platinum group metals2024-01-01SC0021409osti
Machine learning-assisted 3D printing of thermoelectric materials of ultrahigh performances at room temperature2024-01-01NE0009138; EE0009103osti
Strain-induced topological phase transition in ferromagnetic Janus monolayer MnSbBiS 2 Te 22024-01-01AC02-06CH11357osti
Autonomous generation of single photon emitting materials2024-01-01SC0014664osti
Tough polycyclooctene nanoporous membranes from etchable block copolymers2024-01-01AC02-06CH11357osti
Regulable high-contrast mechanofluorochromic enhancement behaviour based on substituent effects2024-01-01AC02-05CH11231osti
Synthesis, chloride-ion diffusion mechanisms, and anisotropic sintering of 2D layered erbium oxychloride nanoplatelets2024-01-01SC0012704osti
Surface phase diagrams from nested sampling2024-01-01AC02-06CH11357osti
Engineering a zinc anode interphasial chemistry for acidic, alkaline and non-aqueous electrolytes2024-01-01AC02-06CH11357osti
Harnessing the power of thermoplastic elastomer-derived ordered mesoporous carbons through functionalization2024-01-01SC0012704osti

These are bibliographic comparisons, not experimental rankings. Follow the original document for methods and conditions.