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Crystal structures and P–T phase diagrams of SrCO and BaCO
In this study, we present the results of a search for new stable structures of SrC 2 O 5 and
BaC 2 O 5 in the pressure range of 0–100 GPa based on the density functional theory and …
BaC 2 O 5 in the pressure range of 0–100 GPa based on the density functional theory and …
Stabilization Of The CN35− Anion In Recoverable High‐pressure Ln3O2(CN3) (Ln=La, Eu, Gd, Tb, Ho, Yb) Oxoguanidinates
A series of isostructural Ln3O2 (CN3)(Ln= La, Eu, Gd, Tb, Ho, Yb) oxoguanidinates was
synthesized under high‐pressure (25–54 GPa) high‐temperature (2000–3000 K) conditions …
synthesized under high‐pressure (25–54 GPa) high‐temperature (2000–3000 K) conditions …
First Finding of High-Pressure Modifications of Na2CO3 and K2CO3 with sp3-Hybridized Carbon Atoms
The transition from structures with classical [CO3] triangles to structures with [CO4]
tetrahedra, corresponding to the transition from sp2 to sp3 hybridization of carbon atoms, is …
tetrahedra, corresponding to the transition from sp2 to sp3 hybridization of carbon atoms, is …
New High-Pressure Structures of Transition Metal Carbonates with O3C–CO3 Orthooxalate Groups
Based on the density functional theory and crystal structure prediction approaches, we found
a novel high-pressure structure of Fe 2 CO 4-P 1¯. It is characterized by the presence of …
a novel high-pressure structure of Fe 2 CO 4-P 1¯. It is characterized by the presence of …
Searching for Stable Beryllium Carbonates in the BeO–CO2 System
In this work, the BeO–CO2 system was investigated in the pressure range from 0 to 50 GPa
based on first-principles calculations and modern crystal structure prediction approaches. As …
based on first-principles calculations and modern crystal structure prediction approaches. As …
P− T phase diagram of Na2C2O5 at pressures up to 100 GPa
In this work, a detailed search for stable structures of the Na 2 C 2 O 5 composition was
carried out using first-principles calculations and modern crystal structure prediction …
carried out using first-principles calculations and modern crystal structure prediction …
First-principles study on the high-pressure physical properties of orthocarbonate Ca2CO4
ZJ Liu, T Li, XW Sun, CR Zhang, ZL Liu, T Song… - Scientific Reports, 2023 - nature.com
Orthorhombic Ca2CO4 is a recently discovered orthocarbonate whose high-pressure
physical properties are critical for understanding the deep carbon cycle. Here, we study the …
physical properties are critical for understanding the deep carbon cycle. Here, we study the …
[PDF][PDF] ОБРАЗОВАНИЕ НОВОГО КЛАССА КАРБОНАТОВ MEC2O5 (ME–CA, SR, BA) ПРИ ВЫСОКИХ ДАВЛЕНИЯХ
ДН Сагатова, ПН Гаврюшкин, МВ Банаев… - XIII Всероссийская …, 2023 - elar.urfu.ru
За последние несколько лет понятие о карбонатах, как соединениях состава MeCO3 (
Meщелочноземельный металл), структуры которых характеризуются наличием [CO3] 2 …
Meщелочноземельный металл), структуры которых характеризуются наличием [CO3] 2 …