相关论文: Bond strengthening in dense H2O and implications t…
The lifetime of a hydrogen bond between water and dimethyl sulfoxide (DMSO) is found to be considerably longer than that between two water molecules in the neat water. This is counter-intuitive because the charge on the oxygen in DMSO is…
H2O is a unique substance with exceptional thermal properties arising from the subtle interplay between its electronic, phononic, and structural degrees of freedom. Of particular interest in H2O are the negative thermal expansion (NTE)…
We identify a previously overlooked invariant governing planetary surface temperatures, expressed in terms of only two observables: solar irradiance and Bond albedo. The relation has universal applicability and accurately reproduces the…
Using first principles simulations we have investigated the structural and bonding properties of dense fluid oxygen up to 180 GPa. We have found that band gap closure occurs in the molecular liquid, with a "slow" transition from a…
Solid O2 has been proposed as a possible reservoir for oxygen in dense clouds through freeze-out processes. The aim of this work is to characterize quantitatively the physical processes that are involved in the desorption kinetics of CO-O2…
A basic model of hydrogen bonds related to $\rm{H}_2\rm{O}$, which is adapted from the Jaynes--Cummings model, is suggested, and its different dynamic features are studied theoretically. In this model, the making and breaking of hydrogen…
It remains to be ascertained whether sub-Neptune exoplanets primarily possess hydrogen-rich atmospheres or whether a population of H$_2$O-rich "water worlds" lurks in their midst. Addressing this question requires improved modeling of…
In the outer solar system beyond Jupiter, water ice is a dominant component of planetary bodies, and most solid objects in this region are classified as icy bodies. Icy bodies display a remarkable diversity of geological, geophysical, and…
We examined O:H-O bond relaxation under compression,heating,molecular undercoordination and claimed a universal resolution to the best-known mysteries of water ice such as ice foating, ice slipperiness, relegation and warm water cools…
Density Functional Theory calculations are used to investigate the role of substrate-induced cooperative effects on the adsorption of water on a partially oxidized transition metal surface, O(2x2)/Ru(0001). Focussing particularly on the…
A comprehensive study of the structural properties of the heavily investigated rare-earth A2Ir2O7 series under extreme conditions is presented. The series is covered by studying iridates with A = Pr, Sm, Dy-Lu. Temperature- and…
The supercooled state of bulk water is largely hidden by unavoidable crystallization, which creates an experimentally inaccessible temperature regime - a 'no man's land'. We address this and circumvent the crystallization problem by…
The pressure-dependent relation between Eu valence and lattice structure in model compound EuO is studied with synchrotron-based x-ray spectroscopic and diffraction techniques. Contrary to expectation, a 7% volume collapse at $\approx$ 45…
In the past decade, observations from space and ground have found H$_2$O to be the most abundant molecular species, after hydrogen, in the atmospheres of hot, gaseous, extrasolar planets. Being the main molecular carrier of oxygen, H$_2$O…
Earth's water, intrinsic oxidation state, and metal core density are fundamental chemical features of our planet. Studies of exoplanets provide a useful context for elucidating the source of these chemical traits. Planet formation and…
The gas-phase chemistry of water in protoplanetary disks is analyzed with a model based on X-ray heating and ionization of the disk atmosphere. Several uncertain processes appear to play critical roles in generating the column densities of…
Determining the atmospheric structure and chemical composition of an exoplanet remains a formidable goal. Fortunately, advancements in the study of exoplanets and their atmospheres have come in the form of direct imaging - spatially…
The structure of the recently identified metastable ice XVII, obtained by release of hydrogen from the C$_0$ D$_2$O-H$_2$ compound (filled ice), has been accurately measured by neutron powder diffraction. The diffraction pattern is indexed…
We explore the conditions prevailing in primordial planets in the framework of the HGD cosmologies as discussed by Gibson and Schild. The initial stages of condensation of planet-mass H-4He gas clouds in trillion-planet clumps is set at…
The potential habitability of an exoplanet is traditionally assessed by determining if its orbit falls within the circumstellar `habitable zone' of its star, defined as the distance at which water could be liquid on the surface of a planet…