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TiO2Stability Landscape: Polymorphism, Surface Energy, and Bound Water Energetics
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Progress and new directions in high temperature calorimetry
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Measurement of interfacial tension from the shape of a rotating drop
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Cross-sectional areas of molecules adsorbed on solid surfaces
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The interaction of H2O with a TiO2(110) surface
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Use of isothermal microcalorimetry data for the determination of integral molar entropies of adsorption at the gas—solid interface by a quasi-equilibrium procedure
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Statistical Thermodynamics
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Adsorption by Powders and Porous Solids: Principles, Methodology and Applications
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Solar photocatalytic degradation of dyes: high activity of combustion synthesized nano TiO2
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Ab initio study of water adsorption on TiO2(110): molecular adsorption versus dissociative chemisorption
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A modulated molecular beam study of the extent of H2O dissociation on TiO2(110)
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Applications of Adsorption Microcalorimetry to the Study of Heterogeneous Catalysis
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Differential heat of chemisorption. 1. Chemisorption of water on zinc oxide and titanium dioxide
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Adsorption of Gases in Multimolecular Layers
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Computational Studies of Catechol and Water Interactions with Titanium Oxide Nanoparticles
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Predicting the Energetics, Phase Stability, and Morphology Evolution of Faceted and Spherical Anatase Nanocrystals
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Effects of Increased Surface Area and Chemisorbed H2O on the Relative Stability of Nanocrystalline γ-Al2O3 and α-Al2O3
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Enhanced Adsorption of Molecules on Surfaces of Nanocrystalline Particles
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Preparing Single-Phase Nanocrystalline Anatase from Amorphous Titania with Particle Sizes Tailored by Temperature
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Surface Water and the Origin of the Positive Excess Specific Heat for 7 nm Rutile and Anatase Nanoparticles
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Water-driven structure transformation in nanoparticles at room temperature
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Controlling molecular deposition and layer structure with supramolecular surface assemblies
inferredcites →https://doi.org/10.1039/a802619jopenalex-snapshot
Thermodynamic analysis of phase stability of nanocrystalline titania
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Towards a first-principles picture of the oxide–water interface
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Statistical Mechanics of Adsorption. IX. Adsorption Thermodynamics and Solution Thermodynamics
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Direct measurements of water adsorption enthalpy on hafnia and zirconia
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Energetic clues to pathways to biomineralization: Precursors, clusters, and nanoparticles
inferredcites →https://doi.org/10.1073/pnas.251534898openalex-snapshot
Energetics of nanocrystalline TiO 2
inferredcites →https://doi.org/10.1103/physrevlett.81.2954openalex-snapshot
Structure and Energetics of Water Adsorbed at TiO 2 Anatase \(101\) and \(001\) Surfaces
inferredcites →https://doi.org/10.1126/science.277.5327.788openalex-snapshot
Surface Energies and Thermodynamic Phase Stability in Nanocrystalline Aluminas
inferredcites →https://doi.org/10.1126/science.277.5327.791openalex-snapshot
The Effect of Pressure on Deuterium-Hydrogen Fractionation in High-Temperature Water
inferredcites →https://doi.org/10.1246/bcsj.51.3144openalex-snapshot
Temperature Programmed Desorption Study of Water Adsorbed on Metal Oxides. I. Anatase and Rutile
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Particle size effects on transformation kinetics and phase stability in nanocrystalline TiO 2
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inferred← citeshttps://doi.org/10.1021/jp1072704openalex-snapshot
Heat Capacity Studies of Nanocrystalline Magnetite (Fe 3 O 4 )
inferred← citeshttps://doi.org/10.1021/jp2122196openalex-snapshot
Raman Investigation of Nanosized TiO 2 : Effect of Crystallite Size and Quantum Confinement
inferred← citeshttps://doi.org/10.1021/jp310993wopenalex-snapshot
Characterization of Surface Defect Sites on Bulk and Nanophase Anatase and Rutile TiO2 by Low-Temperature Specific Heat
inferred← citeshttps://doi.org/10.1021/jp405820gopenalex-snapshot
Amorphous Alumina Nanoparticles: Structure, Surface Energy, and Thermodynamic Phase Stability
inferred← citeshttps://doi.org/10.1021/jp408345vopenalex-snapshot
Single-Site and Monolayer Surface Hydration Energy of Anatase and Rutile Nanoparticles Using Density Functional Theory
inferred← citeshttps://doi.org/10.1021/jp500954vopenalex-snapshot
Vibrational Density of States of Strongly H-Bonded Interfacial Water: Insights from Inelastic Neutron Scattering and Theory
inferred← citeshttps://doi.org/10.1021/jp503891sopenalex-snapshot
Elucidating Ionic Liquid Environments That Affect the Morphology of TiO2 Nanocrystals: A DFT+D Study
inferred← citeshttps://doi.org/10.1021/jp7102337openalex-snapshot
Energetics of Cubic and Monoclinic Yttrium Oxide Polymorphs: Phase Transitions, Surface Enthalpies, and Stability at the Nanoscale
inferred← citeshttps://doi.org/10.1021/jp801339qopenalex-snapshot
A Theoretical Investigation of the Selective Oxidation of Methanol to Formaldehyde on Isolated Vanadate Species Supported on Titania
inferred← citeshttps://doi.org/10.1021/jp8109918openalex-snapshot
Inelastic Neutron Scattering Study of Confined Surface Water on Rutile Nanoparticles
inferred← citeshttps://doi.org/10.1021/jp811332wopenalex-snapshot
Origin of Nanoscale Phase Stability Reversals in Titanium Oxide Polymorphs
inferred← citeshttps://doi.org/10.1021/jp9090987openalex-snapshot
DFT Study on Anatase TiO2 Nanowires: Structure and Electronic Properties As Functions of Size, Surface Termination, and Morphology
inferred← citeshttps://doi.org/10.1021/nn800446wopenalex-snapshot
An Environmentally Sensitive Phase Map of Titania Nanocrystals
inferred← citeshttps://doi.org/10.1038/s43247-024-01234-9openalex-snapshot
Detection of thin film phase transformations at high-pressure and high-temperature in a diamond anvil cell
inferred← citeshttps://doi.org/10.1038/srep01411openalex-snapshot
Surface-specific interaction by structure-match confined pure high-energy facet of unstable TiO2(B) polymorph
inferred← citeshttps://doi.org/10.1039/b819623kopenalex-snapshot
The size dependence of the surface free energy of titania nanocrystals
inferred← citeshttps://doi.org/10.1039/b901509dopenalex-snapshot
Functionalization of electrospun ceramic nanofibre membranes with noble-metal nanostructures for catalytic applications
inferred← citeshttps://doi.org/10.1039/b917024copenalex-snapshot
Synthesis and size-dependent crystallization of colloidal germanium telluridenanoparticles
inferred← citeshttps://doi.org/10.1039/c0cp00879fopenalex-snapshot
Photo-catalytic oxidation of cyclohexane over TiO 2 : a novel interpretation of temperature dependent performance
inferred← citeshttps://doi.org/10.1039/c0jm02192jopenalex-snapshot
Shape-dependent surface energetics of nanocrystalline TiO2
inferred← citeshttps://doi.org/10.1039/c4ce02138jopenalex-snapshot
Interface-mediated phase transformation in nanocrystalline particles: the case of the TiO 2 allotropes
inferred← citeshttps://doi.org/10.1039/c4ta05317fopenalex-snapshot
Impact of distributions on the photocatalytic performance of anatase nanoparticle ensembles
inferred← citeshttps://doi.org/10.1039/c5cp02972dopenalex-snapshot
Thermodynamics of Fe 3 O 4 –Co 3 O 4 and Fe 3 O 4 –Mn 3 O 4 spinel solid solutions at the bulk and nanoscale
inferred← citeshttps://doi.org/10.1039/c5nr09000hopenalex-snapshot
Ultraporous superhydrophobic gas-permeable nano-layers by scalable solvent-free one-step self-assembly
inferred← citeshttps://doi.org/10.1039/c5tc01308aopenalex-snapshot
Thermodynamic stability of lead-free alkali niobate and tantalate perovskites
inferred← citeshttps://doi.org/10.1039/c6cp04973gopenalex-snapshot
First-principles study of relative stability of rutile and anatase TiO 2 using the random phase approximation
inferred← citeshttps://doi.org/10.1039/c7ce01656eopenalex-snapshot
Insights into the polymorphic transformation mechanism of aluminum hydroxide during carbonation of potassium aluminate solution
inferred← citeshttps://doi.org/10.1039/d2ce00170eopenalex-snapshot
Stabilizing nonnative polymorphs at the nanoscale as surface energy is inversely correlated to bulk energies
inferred← citeshttps://doi.org/10.1039/d2na00603kopenalex-snapshot
Circumventing thermodynamics to synthesize highly metastable perovskites: nano eggshells of SnHfO 3
inferred← citeshttps://doi.org/10.1039/d3nr00141eopenalex-snapshot
Crystal properties without crystallinity? Influence of surface hydroxylation on the structure and properties of small TiO 2 nanoparticles
inferred← citeshttps://doi.org/10.1039/d5ee07605fopenalex-snapshot
TiO 2 -coated rutile oxide catalysts for acidic oxygen evolution: a design principle
inferred← citeshttps://doi.org/10.1039/d5ra04670jopenalex-snapshot
Sustainable hydrogen production via NH 3 BH 3 hydrolysis using platinum nanoparticles decorated on solvent-free synthesized LiNbWO 6
inferred← citeshttps://doi.org/10.1063/1.3435317openalex-snapshot
Hafnia: Energetics of thin films and nanoparticles
inferred← citeshttps://doi.org/10.1063/1.3617244openalex-snapshot
DFT+U calculations of crystal lattice, electronic structure, and phase stability under pressure of TiO2 polymorphs
inferred← citeshttps://doi.org/10.1063/1.4850636openalex-snapshot
The thermodynamic properties of hydrated γ-Al2O3 nanoparticles
inferred← citeshttps://doi.org/10.1063/1.4985624openalex-snapshot
Perspective: Photocatalytic reduction of CO2 to solar fuels over semiconductors
inferred← citeshttps://doi.org/10.1063/1.5055623openalex-snapshot
Subtlety of TiO2 phase stability: Reliability of the density functional theory predictions and persistence of the self-interaction error
inferred← citeshttps://doi.org/10.1063/5.0122727openalex-snapshot
What is in a name: Defining “high entropy” oxides
inferred← citeshttps://doi.org/10.1063/5.0211720openalex-snapshot
Revisiting DFT+U calculations of TiO2 and the effect of the local-projection size
inferred← citeshttps://doi.org/10.1063/5.0242166openalex-snapshot
Polarizable force field for TiO2 based on the Drude oscillator model
inferred← citeshttps://doi.org/10.1073/pnas.1507441112openalex-snapshot
Thermodynamics of formation of coffinite, USiO 4
inferred← citeshttps://doi.org/10.1073/pnas.2307633121openalex-snapshot
Observation of negative surface and interface energies of quantum dots
inferred← citeshttps://doi.org/10.1088/0034-4885/73/8/086502openalex-snapshot
Modelling of nanoparticles: approaches to morphology and evolution
inferred← citeshttps://doi.org/10.1088/1367-2630/18/11/113049openalex-snapshot
Phase stability of TiO2polymorphs from diffusion Quantum Monte Carlo
inferred← citeshttps://doi.org/10.1088/1402-4896/abb736openalex-snapshot
Geometrical confinement effects on fundamental thermal properties of rutile and anatase TiO 2 cylindrical and tubular nanostructures
inferred← citeshttps://doi.org/10.1103/physrevb.78.075405openalex-snapshot
Structural, electronic, and surface properties of anatase TiO2 nanocrystals from first principles
inferred← citeshttps://doi.org/10.1103/physrevb.93.035133openalex-snapshot
Hubbard-U corrected Hamiltonians for non-self-consistent random-phase approximation total-energy calculations: A study of ZnS, TiO2 , and NiO
inferred← citeshttps://doi.org/10.1111/j.1551-2916.2008.02796.xopenalex-snapshot
Surface Enthalpy, Enthalpy of Water Adsorption, and Phase Stability in Nanocrystalline Monoclinic Zirconia
inferred← citeshttps://doi.org/10.1111/j.1551-2916.2012.05137.xopenalex-snapshot
Thermochemistry of ( Ca x Sr 1‐ x ) TiO 3 , ( Ba x Sr 1‐ x ) TiO 3 , and ( Ba x Ca 1‐x ) TiO 3 Perovskite Solid Solutions
inferred← citeshttps://doi.org/10.1111/j.1551-2916.2012.05336.xopenalex-snapshot
Thermodynamics of Nanocrystalline Sn 0.586 Ti 0.414 O 2 Rutile Solid Solution: Comparison with Nanocrystalline SnO 2 and TiO 2 and with Bulk Materials
inferred← citeshttps://doi.org/10.1111/j.1551-2916.2012.05373.xopenalex-snapshot
Thermodynamics of Nanoscale Lead Titanate and Barium Titanate Perovskites
inferred← citeshttps://doi.org/10.1111/jace.12622openalex-snapshot
Thermodynamics of Nanoscale Calcium and Strontium Titanate Perovskites
inferred← citeshttps://doi.org/10.1111/jace.13278openalex-snapshot
Progress and New Directions in Calorimetry: A 2014 Perspective
inferred← citeshttps://doi.org/10.1111/jace.13954openalex-snapshot
The Nanocrystalline SnO 2 –TiO 2 System‒Part II: Surface Energies and Thermodynamic Stability
inferred← citeshttps://doi.org/10.1111/jace.14973openalex-snapshot
Surface and grain‐boundary excess of ZnO‐doped SnO 2 nanopowders by the selective lixiviation method
inferred← citeshttps://doi.org/10.1111/jace.16523openalex-snapshot
Thermal stability of nano Ce 1−x Ti x O 2 material system for X < 0.2
inferred← citeshttps://doi.org/10.1111/jace.17623openalex-snapshot
Surface properties of Ca, Ti‐doped CeO 2 and their influence on the reverse water‐gas shift reaction
inferred← citeshttps://doi.org/10.1111/jace.70667openalex-snapshot
Thermodynamics of Interfaces for Sustainable Ceramics
inferred← citeshttps://doi.org/10.1116/1.4764889openalex-snapshot
Atomic layer deposition of anatase TiO2 on porous electrodes for dye-sensitized solar cells
inferred← citeshttps://doi.org/10.1126/sciadv.adj5431openalex-snapshot
Selective formation of metastable polymorphs in solid-state synthesis
inferred← citeshttps://doi.org/10.1126/science.aah6902openalex-snapshot
Direction-specific van der Waals attraction between rutile TiO 2 nanocrystals
inferred← citeshttps://doi.org/10.1140/epjb/e2017-80476-9openalex-snapshot
On the ground state of TiO2 as predicted by all electron density functional calculations in relation to experiment
inferred← citeshttps://doi.org/10.1155/2011/410352openalex-snapshot
Influence of Parameters of Cold Isostatic Pressing on TiO 2 Films for Flexible Dye-Sensitized Solar Cells
inferred← citeshttps://doi.org/10.11606/t.3.2023.tde-18102023-091422openalex-snapshot
Relação dos defeitos cristalinos e da composição química das interfaces com a eficiência fotocatalítica do TiO2 durante a dopagem com iodeto ou óxido de nióbio.
inferred← citeshttps://doi.org/10.1201/b15777-2openalex-snapshot
Properties of Nanoparticulate Materials
inferred← citeshttps://doi.org/10.1557/jmr.2008.0216openalex-snapshot
Energetics of ZnO nanoneedles: Surface enthalpy, stability, and growth
inferred← citeshttps://doi.org/10.1557/jmr.2008.0237openalex-snapshot
Thermochemistry of nanoparticles on a substrate: Zinc oxide on amorphous silica
inferred← citeshttps://doi.org/10.1557/jmr.2010.97openalex-snapshot
Surface enthalpy and enthalpy of water adsorption of nanocrystalline tin dioxide: Thermodynamic insight on the sensing activity
inferred← citeshttps://doi.org/10.1557/jmr.2011.20openalex-snapshot
Cadmium selenide: Surface and nanoparticle energetics
inferred← citeshttps://doi.org/10.1557/jmr.2012.31openalex-snapshot
Yttria-stabilized hafnia: Thermochemistry of formation and hydration of nanoparticles
inferred← citeshttps://doi.org/10.1557/jmr.2019.33openalex-snapshot
Review of surface water interactions with metal oxide nanoparticles
inferred← citeshttps://doi.org/10.1557/mrs.2015.336openalex-snapshot
Energetics at the nanoscale: Impacts for geochemistry, the environment, and materials
inferred← citeshttps://doi.org/10.1557/opl.2011.1052openalex-snapshot
Dynamics of Water Confined on the Surface of Titania and Cassiterite Nanoparticles
inferred← citeshttps://doi.org/10.1557/proc-1178-aa09-34openalex-snapshot
The Role of the Surface Coverage on the Structural and the Electronic Properties of TiO2 Nanocrystals
inferred← citeshttps://doi.org/10.1557/s43577-022-00441-zopenalex-snapshot
Materials properties characterization in the most extreme environments
inferred← citeshttps://doi.org/10.1590/0001-3765202420240096openalex-snapshot
Synthesis of TiO2 nanoparticles by the solvothermal method and application in the catalysis of esterification reactions
inferred← citeshttps://doi.org/10.1590/s0366-69132009000400002openalex-snapshot
Determinação das energias de superfície do SnO2 puro e dopado
inferred← citeshttps://doi.org/10.1590/s0366-69132012000100009openalex-snapshot
Modificação da estabilidade dos polimorfos de TiO2 nanométrico pelo excesso de superfície de SnO2
inferred← citeshttps://doi.org/10.17586/2220-8054-2025-16-6-802-811openalex-snapshot
Thermodynamic analysis of nanocrystal formation in the TiO2–H2O (NaOH, HCl) system
inferred← citeshttps://doi.org/10.2138/am-2018-6242openalex-snapshot
Submicrometer yttrian zircon coating and arborescent aeschynite microcrystals on truncated bipyramidal anatase: An electron microscopy study of miarolitic cavities in the Cuasso al Monte granophyre (Varese, Italy)
inferred← citeshttps://doi.org/10.2138/am-2019-6797openalex-snapshot
Energetics of ethanol and carbon dioxide adsorption on anatase, rutile, and γ-alumina nanoparticles
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