Predicting aqueous stability of solid with computed Pourbaix diagram using SCAN functional
نویسندگان
چکیده
منابع مشابه
single-step synthesis of multi-component spirobarbiturates using ionic liquids and synthesis of substituted pyridine filled with catalysts supported on solid substrate
in this thesis, a better reaction conditions for the synthesis of spirobarbiturates catalyzed by task-specific ionic liquid (2-hydroxy-n-(2-hydroxyethyl)-n,n-dimethylethanaminium formate), calcium hypochlorite ca(ocl)2 or n-bromosuccinimide (nbs) in the presence of water at room temperature by ultrasonic technique is provided. the design and synthesis of spirocycles is a challenging task becaus...
15 صفحه اولPourbaix-like phase diagram for lithium manganese spinels in acid
Calculations are performed on the free energies for proton-promoted reactions of the lithium-ionbattery electrode material LiMn2O4 spinel in acid, as a function of lithium excess and lithium deficiency relative to stoichiometry. In particular, we consider the dissolution reaction proposed by Hunter (J. Solid State Chem., 1981, 39, 142), in which protons react with lithium manganate spinel to fo...
متن کاملStability of Proteins in Aqueous Solution and Solid State
In the last two decades, proteins and peptides have become an important class of potent therapeutic drugs. However, their susceptibility to chemical and physical degradation presents a challenge to formulation scientists, for the development of stable pharmaceutical preparations. This is in part, due to the unique physicochemical and biological properties of the proteins and peptide drugs. The ...
متن کاملResearch Paper: Anthropometric Study of Hip Joint in Tehran Population Using Computed Tomography Scan
Introduction: Anthropometric studies provide valuable information in different populations. This study was conducted to evaluate the anatomical variations of the normal hip joint among Tehran population, Iran, in comparison with other populations. Methods: This study was carried out on hip joint of 260 patients in all ages and both genders referred to the Department of Radiology at Ebn-e Sina ...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: npj Computational Materials
سال: 2020
ISSN: 2057-3960
DOI: 10.1038/s41524-020-00430-3