Ultra-violet to visible band gap engineering of cubic halide KCaCl 3 perovskite under pressure for optoelectronic applications: insights from DFT

MA Haq, M Saiduzzaman, TI Asif, IK Shuvo… - RSC …, 2021 - pubs.rsc.org
Density functional theory is utilized to explore the effects of hydrostatic pressure on the
structural, electrical, optical, and mechanical properties of cubic halide perovskite KCaCl3 …

Multistage modified Solvay process based on calcium oxide for carbon dioxide capture and reject brine desalination

AF Mohammad, AAH Mourad, AH Al-Marzouqi… - Separation and …, 2024 - Elsevier
Previous studies have investigated the overall performance of the modified Solvay process
based on calcium oxide (CaO). In the modified process, calcium oxide (CaO) is reacted with …

Hyperaccumulation route to Ca-rich hard carbon materials with cation self-incorporation and interlayer spacing optimization for high-performance sodium-ion batteries

K Yu, H Zhao, X Wang, M Zhang, R Dong… - … applied materials & …, 2020 - ACS Publications
The hard carbon (HC) has been emerging as one of the most promising anode materials for
sodium-ion batteries (SIBs). Incorporation of cations into the HC lattice proved to be effective …

Pressure-induced band gap engineering and enhanced optoelectronic properties of non-toxic Ca-based perovskite CsCaCl3: Insights from density functional theory

Z Jellil, H Ez-Zahraouy - Computational Condensed Matter, 2024 - Elsevier
This study investigates the impact of hydrostatic pressure on the structural, electronic,
optical, and mechanical properties of the cubic halide perovskite CsCaCl 3. The pressure …

Recent advances in spontaneous Raman spectroscopic imaging: instrumentation and applications

N Wang, H Cao, L Wang, F Ren, Q Zeng… - Current Medicinal …, 2020 - ingentaconnect.com
Background: Spectroscopic imaging based on the spontaneous Raman scattering effects
can provide unique fingerprint information in relation to the vibration bands of molecules …

Plasma driven exsolution of Ca as the adjacent dechlorinated site in La0. 8Ca0. 2MnO3 perovskite: A highly mineralization chlorobenzene oxidation catalyst

D Tao, Y Qi, S Fu, N Yang, K Liu, Z Chen, L Li - Applied Catalysis A …, 2024 - Elsevier
The degradation of chlorine-containing volatile organic compounds (CVOCs) catalytic
combustion technology is subject to the catalyst chlorine poisoning, which is resulted from …

Electrode materials for calcium batteries: Future directions and perspectives

T Masese, GM Kanyolo - EcoEnergy, 2024 - Wiley Online Library
Despite the prevailing dominance of lithium‐ion batteries in consumer electronics and
electric vehicle markets, the growing apprehension over lithium availability has ignited a …

Halogen enrichment of Siberian Traps magmas during interaction with evaporites

S Sibik, M Edmonds, B Villemant… - Frontiers in Earth …, 2021 - frontiersin.org
Volatile emissions to the atmosphere associated with the Siberian Traps eruptions at the
Permian-Triassic boundary were sourced from the outgassing of primary magmas and the …

Fluid evolution of the Lindero porphyry gold deposit, NW Argentina: the critical role of salt melts in ore formation

V Simόn, P Koděra, V Lüders, RB Trumbull… - Mineralium …, 2024 - Springer
The Lindero deposit is located in the Puna plateau, northwest Argentina, at the southern end
of the Central Volcanic Zone of the Central Andes. The high-K calc-alkaline dioritic …

[HTML][HTML] 第一性原理计算约束宏观地质现象的微观机制

高子越, 邱昆峰, 罗炳程, 刘鑫, 龙政宇, 于皓丞… - 岩石学报, 2024 - dzkx.org
微观尺度物理化学机制随着时间推移和空间尺度放大, 逐步累积形成在地球系统中能够被直观
观测到的大规模地质过程. 揭示地质作用过程中隐藏在宏观表象下的微观机制一直是地球科学 …