What Is the Active Structure for High-Temperature Direct Dehydrogenative Conversion of Methane by the Supported NiP Catalysts─An in Situ XAFS Study

Q Wang, S Iguchi, I Yamanaka, J Ohta… - The Journal of …, 2024 - ACS Publications
SiO2-supported NiP catalysts exhibit high activity for the direct dehydrogenative conversion
of methane (DCM) to hydrocarbons, such as ethylene, ethane, acetylene, and propylene, at …

A cotunnite-type new high-pressure phase of Fe2S

K Oka, S Tateno, Y Kuwayama, K Hirose… - American …, 2022 - degruyter.com
We examined pressure-induced phase transitions in Fe2S based on high-pressure and high-
temperature X‑ray diffraction measurements in a laser-heated diamond-anvil cell. Fe2S is …

Phase Relations in the Ni–S System at High Pressures from ab Initio Computations

NE Sagatov, ADB Bazarbek, TM Inerbaev… - ACS Earth and Space …, 2021 - ACS Publications
Based on the ab initio calculations within the density functional theory and crystal structure
prediction algorithms, the structure and stability of compounds in the Ni–S system at …

Phase relations, and mechanical and electronic properties of nickel borides, carbides, and nitrides from ab initio calculations

NE Sagatov, AU Abuova, DN Sagatova… - RSC …, 2021 - pubs.rsc.org
Based on density functional theory and the crystal structure prediction methods, USPEX and
AIRSS, stable intermediate compounds in the Ni–X (X= B, C, and N) systems and their …

Ab-initio calculations for the search for stable structures for iron-phosphorus and nickel-phosphorus systems

AD Bazarbek - BULLETIN OF THE LN GUMILYOV EURASIAN …, 2024 - bulphysast.enu.kz
The study of the internal structure of our planet is one of the most relevant topics in
fundamental research. In particular, the analysis of the phase ratios of iron compounds with …