相关论文: Experimental Investigation of Condensation Predict…
Full chemical equilibrium calculations of the sequence of condensation of the elements from cosmic gases made by total vaporization of dust-enriched systems were performed to investigate the oxidation state of the resulting condensates.…
We utilize a chemical equilibrium code in order to study the condensation process which occurs in protoplanetary discs during the formation of the first solids. The model specifically focuses on the thermodynamic behaviour on the solid…
Volatility-dependent fractionation of the rock-forming elements at high temperatures is an early, widespread process during formation of the earliest solids in protoplanetary disks. Equilibrium condensation calculations allow prediction of…
Perovskite materials have become ubiquitous in many technologically relevant applications, ranging from catalysts in solid oxide fuel cells to light absorbing layers in solar photovoltaics. The thermodynamic phase stability is a key…
Liquid dropout and retention in gas-condensate reservoirs, specially in the near wellbore region, obstruct gas flowing paths and impact negatively the produced fluid volume and composition. Yet, condensate banking forecasting is commonly…
Cool a piece of the Sun to 1000 K at one millibar pressure to yield a mineral assemblage consistent with those found in the most primitive meteorites. This is an equilibrium or fractional condensation experiment simulated by calculations…
Condensation processes, which are responsible for the main chemical differences between gas and solids in the Galaxy, are the major mechanisms that control the cycle of dust from evolved stars to planetary systems. However, they are still…
Silver-based chalcohalide anti-perovskites (CAP), Ag$_{3}$BC (B = S, Se; C = Cl, Br, I), represent an emerging family of energy materials with intriguing optoelectronic, vibrational and ionic transport properties. However, the structural…
The origin of Mercury's anomalous core and low FeO surface mineralogy are outstanding questions in planetary science. Mercury's composition may result from cosmochemical controls on the precursor solids that accreted to form Mercury. High…
Stability is one of the key issues in mixed-halide perovskite alloys which are promising in emergent optoelectronics. Previous density-functional-theory (DFT) and machine learning studies indicate that the formation-energy convex hulls of…
Control of materials through custom design of ionic distributions represents a powerful new approach to develop future technologies ranging from spintronic logic and memory devices to energy storage. Perovskites have shown particular…
Germanates are often used as structural analogs of planetary silicates. We have explored the high-pressure phase relations in Mg$_2$GeO$_4$ using diamond anvil cell experiments combined with synchrotron x-ray diffraction and computations…
We report the time dependent response of electrical resistivity in the non-magnetic perovskite oxide NdNiO$_3$ in its phase separated state and provide a physical explanation of the observations. We also model the system and do an accurate…
High-entropy oxides (HEOs) are a new class of materials that are promising for a wide range of applications. Designing HEOs needs to consider both geometric compatibility and electrical equilibrium. However, there is currently no available…
Perovskite stability is of the core importance and difficulty in current research and application of perovskite solar cells. Nevertheless, over the past century, the formability and stability of perovskite still relied on simplified factor…
The stability of mixed halide perovskites against phase separation is crucial for their optoelectronic applications, yet difficult to rationalize due to the interplay of enthalpic, configurational, and dynamical effects. Here we present a…
This article describes condensation of the elements and use of condensation temperatures (Tcond) to interpret the volatility trend of the Earth. Major points are: (1) a listing of updated 50% Tcond for all natural elements and Pu at 1e-2 to…
Halide perovskites exhibit unpredictable properties in response to environmental stressors, due to several composition-dependent degradation mechanisms. In this work, we apply data visualization and machine learning (ML) techniques to…
Tin-based halide perovskites have emerged as promising lead-free alternatives for optoelectronic applications, yet their structural stability and phase behavior at finite temperatures remain challenging to predict. Here, we assess the…
Experimental data obtained with the perovskite compounds Pr$_{0.55}$Sr$_{0.45}$MnO$_{3}$ show that the magnetization decreases with increasing temperature $T$ and undergoes a very sharp phase transition to the paramagnetic phase. The sharp…