Publications related to Standard enthalpy of formation

Electrolyte engineering via ether solvent fluorination for developing stable non-aqueous lithium metal batteries

Fluorination of solvents, useful for non-aqueous lithium-based batteries, improves the electrochemical stability but decreases the ionic conductivity. Here, the authors report a targeted functionalization of an ether solvent to balance the electrolyte ioni ...

NATURE PORTFOLIO2023

Identifying the mediators of intracellular E. coli inactivation under UVA light: The (photo) Fenton process and singlet oxygen

César Pulgarin, Stefanos Giannakis

Solar disinfection (SODIS) was probed for its underlying mechanism. When Escherichia coli was exposed to UVA irradiation, the dominant solar fraction acting in SODIS process, cells exhibited a shoulder before death ensued. This profile resembles cell killi ...

PERGAMON-ELSEVIER SCIENCE LTD2022

Revealing the Surface Chemistry for CO2 Hydrogenation on Cu/CeO2–x Using Near-Ambient-Pressure X-ray Photoelectron Spectroscopy

Andreas Züttel, Emad Oveisi, Thi Ha My Pham, Wen Luo, Mo Li, Young Jun Ko

Catalytic reduction of CO2 to valuable products is an attractive route for CO2 recycling. CeO2-supported Cu catalysts have shown high activity and selectivity for the hydrogenation of CO2 to CO. To uncover the origin of their high performance, we prepared ...

ACS2021

Revisiting the concept of extents for chemical reaction systems using an enthalpy balance

Dominique Bonvin, Diogo Filipe Mateus Rodrigues

For the investigation of complex reaction systems, it has been proposed to decouple the various rate processes using a linear time-invariant transformation that is constructed from knowledge of stoichiometry, reaction enthalpies, inlet compositions and tem ...

PERGAMON-ELSEVIER SCIENCE LTD2020

Finite-size corrections of defect energy levels involving ionic polarization

Alfredo Pasquarello, Stefano Falletta, Julia Anna Wiktor

We develop a scheme for finite-size corrections of vertical transition energies and single-particle energy levels involving defect states with built-in ionic polarization in supercell calculations. The method accounts on an equal footing for the screening ...

2020

Unraveling and optimizing the metal-metal oxide synergistic effect in a highly active Co (CoO)1– catalyst for CO2 hydrogenation

Andreas Züttel, Emanuele Moioli, Marco Calizzi, Loris Giovanni Lombardo, Wen Luo, Kun Zhao, Mo Li, Robin Tobias Andreas Mutschler, Alexandre Borsay

The relation between catalytic reactivities and metal/metal oxide ratios, as well as the functions of the metal and the metal oxides were investigated in the CO2 hydrogenation reaction over highly active Cox(CoO)1–x catalysts in operando. The catalytic rea ...

2020

In Situ Liquid SAXS Studies on the Early Stage of Calcium Carbonate Formation

Andrea Testino, Agnese Carino, Mohammad Reza Andalibi

Calcium carbonate is a model system to investigate the mechanism of solid formation by precipitation from solutions, and it is often considered in the debated classical and nonclassical nucleation mechanism. Despite the great scientific relevance of calciu ...

2019

Extrinsic Defects in Amorphous Oxides: Hydrogen, Carbon, and Nitrogen Impurities in Alumina

Alfredo Pasquarello, Francesco Ambrosio, Zhendong Guo

We present a procedure for addressing extrinsic defects in amorphous oxides, in which the most stable defect configurations are identified through ab initio molecular dynamics in various charge states and studied through hybrid functional calculations. The ...

2019

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Standard enthalpy of formation

Reactions of hypobromous acid with dimethyl selenide, dimethyl diselenide and other organic selenium compounds: kinetics and product formation

Electrolyte engineering via ether solvent fluorination for developing stable non-aqueous lithium metal batteries

Identifying the mediators of intracellular E. coli inactivation under UVA light: The (photo) Fenton process and singlet oxygen

Revealing the Surface Chemistry for CO2 Hydrogenation on Cu/CeO2–x Using Near-Ambient-Pressure X-ray Photoelectron Spectroscopy

Revisiting the concept of extents for chemical reaction systems using an enthalpy balance

Finite-size corrections of defect energy levels involving ionic polarization

Evaluation of Total Reactive Oxide Ratios and Working Solution Ratios on Strength Development in Fly Ash-Based Geopolymers

Unraveling and optimizing the metal-metal oxide synergistic effect in a highly active Co (CoO)1– catalyst for CO2 hydrogenation

In Situ Liquid SAXS Studies on the Early Stage of Calcium Carbonate Formation

Extrinsic Defects in Amorphous Oxides: Hydrogen, Carbon, and Nitrogen Impurities in Alumina

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Identifying the mediators of intracellular E. coli inactivation under UVA light: The (photo) Fenton process and singlet oxygen

Evaluation of Total Reactive Oxide Ratios and Working Solution Ratios on Strength Development in Fly Ash-Based Geopolymers

Reactions of hypobromous acid with dimethyl selenide, dimethyl diselenide and other organic selenium compounds: kinetics and product formation

Finite-size corrections of defect energy levels involving ionic polarization

In Situ Liquid SAXS Studies on the Early Stage of Calcium Carbonate Formation

Extrinsic Defects in Amorphous Oxides: Hydrogen, Carbon, and Nitrogen Impurities in Alumina

Electrolyte engineering via ether solvent fluorination for developing stable non-aqueous lithium metal batteries

Revealing the Surface Chemistry for CO2 Hydrogenation on Cu/CeO2–x Using Near-Ambient-Pressure X-ray Photoelectron Spectroscopy

Revisiting the concept of extents for chemical reaction systems using an enthalpy balance

Unraveling and optimizing the metal-metal oxide synergistic effect in a highly active Co (CoO)1– catalyst for CO2 hydrogenation