Cold atom–atom–ion three-body recombination of 4He–4He–X− (X = H or D)

Wang, Bin-Bin; Han, Yong‐Chang; Gao, Wei; Cong, Shu‐Lin

doi:10.1039/c7cp04310d

Cited by 15 publications

(11 citation statements)

References 39 publications

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“…In other words, reaction channel (2) is dominant for ion-atom-atom collisions. The preponderance of molecular ions as the final product state has been experimentally confirmed [85] and partially supported through full quantum mechanical calculations regarding the formation of molecular anions in some systems [86,87]. Therefore, it seems that our investigations at the cold regime may be extensible, under proper circumstances, to the ultracold realm.…”

Section: An Atomic Ion In a Bath Of Ultracold Atomssupporting

confidence: 55%

Cold chemistry: a few-body perspective on impurity physics of a single ion in an ultracold bath

Pérez‐Ríos

2021

Molecular Physics

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Impurity physics is a traditional topic in condensed matter physics that nowadays is being explored in the field of ultracold gases. Among the different classes of impurities, we focus on charged impurities in an ultracold bath. When a single ion is brought in contact with an ultracold gas, it is subjected to different reactive processes that can be understood from a cold chemistry perspective. In this work, we present an outlook of approaches for the dynamics of a single ion in a bath of ultracold atoms or molecules, complementing the usual many-body approaches characteristic of impurity physics within condensed matter physics. In particular, we focus on the evolution of a charged impurity in different baths, including external time-dependent trapping potentials, and explore the effect of the external laser sources present in ion-neutral hybrid traps on the reaction probability and evolution of an impurity.

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Section: An Atomic Ion In a Bath Of Ultracold Atomssupporting

confidence: 55%

Cold chemistry: a few-body perspective on impurity physics of a single ion in an ultracold bath

Pérez‐Ríos

2021

Molecular Physics

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“…When photogenerated electrons and holes migrate to the surface, they can drive different semi-reactions. [47] The extremely negative redox potential of electrons within these BC 2 N monolayers may efficiently overcome the overpotential and promote the charge transfer rate during the photocatalytic reduction process of CO 2 . [48,49] F I G U R E 5 Imaginary parts of dielectric constants of BC 2 N-α and BC 2 N-β, computed by HSE06 functionals…”

Section: Redox Capability Of the Potential Bc 2 N Photocatalystsmentioning

confidence: 99%

Theoretical studies on the BC₂N monolayers with promising photoelectronic characteristics and remarkable environmental stabilities

Huang

et al. 2019

Int J of Quantum Chemistry

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In this study, density functional theory calculations were performed to investigate the geometric structures, thermodynamic and mechanical stabilities, electronic, and optical properties of two BC 2 N monolayers with honeycomb structure. The computational results demonstrate that the BC 2 N monolayers have not only visible-light absorption, but also high reducing capacity of photo-induced electrons and excellent carrier mobility. Also, ab initio molecular dynamics simulations with considering the O 2 and H 2 O molecule were carried out, which suggest that the crystal structures of both BC 2 N monolayers can be well maintained in the moisture-laden air filled with O 2 molecules at 800 K. Accordingly, these BC 2 N monolayers with promising photoelectronic characteristics and environmental stability could be utilized as metal-free visible-light-driven photocatalysts in high-temperature environment with moisture and oxygen, which is worthy of being further investigated in experimental and theoretical studies.absorption, carrier mobility, environmental stability, photocatalyst, thermodynamic stability | INTRODUCTIONSince the discovery of photocatalysts, a great deal of studies has been performed to investigate the electronic and structural properties of these materials. Visible-light-driven photocatalysts are an attractive research topic in the fields of pollution removal and fuel production, because of the potential to employ sunlight to promote reactions under very mild conditions. Sparked by the discovery of graphene, massive two-dimensional (2D) materials possessing sheet like structures with only single-atom or few-atom thickness have been experimentally realized and applied in varieties of applications, among which a great deal of success have been achieved in 2D photocatalysts. [1] When 2D materials are used as photocatalysts, they have several inherent advantages in improving photocatalytic efficiency. The advantages include such aspects: reduced migration distance and promoted separation of photo-activated e − -h + pairs, the high specific surface area for light absorption, conveniently regulable electronic and optical properties. [2][3][4][5] Up to present, there are numerous strategies to obtain 2D photocatalysts, among which two methods are usually used to gain graphene-like or graphene based photocatalysts. The first one is to select 2D semiconductors with appropriate optoelectronic properties, such as phosphorene, g-C 3 N 4 , MoS 2 , and WS 2 monolayers. [6,7] For instance, Wang et al. demonstrate that ultrathin black phosphorus (BP) nanosheets exhibit an exotic, excitation-energy-dependent, optical switching effect in photocatalytic reactive oxygen species (ROS) generation. [8] Their work not only establishes an in-depth understanding on the influence of many-body effects on photocatalysis, but also paves the way for optimizing catalytic performances via controllable photoexcitation. The other strategy to achieve 2D photocatalytic materials is based on graphene materials, including graphene doped by met...

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“…Quantum chemical calculations were carried out using DMol 3 package. The molecular structure was optimized to ensure the true minima on the potential energy surface.…”

Section: Theoretical Calculation Methodsmentioning

confidence: 99%

“…Herein, the weak peak at 535.6 eV was ascribed to the satellite peak of C]O structure, which well proved the presence of coumarin on the aluminum surface. 10 The peak at 531.4 eV showed the strongest intensity, which conformed to aluminum oxides/hydroxides, i.e., Al 2 O 3 and Al(OH) 3 . This revealed that the chemical composition of the corroded surface was predominated by Al 2 O 3 and Al(OH) 3 .…”

Section: Surface Elements and Chemical Statesmentioning

confidence: 97%

“…1,2 However, when such aluminum strips/foils are manufactured, serious corrosion-induced pinholes are oen formed for the higher electrochemical reactivity of aluminum. [3][4][5] These defects subsequently reduce the mechanical properties, gas impermeability, electrical and thermal conductivity of aluminum strips/foils. Hence, corrosion inhibitors are commonly employed in cold-rolling operations to reduce corrosion damage of the aluminum surface.…”

Section: Introductionmentioning

confidence: 99%

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Coumarin as a green inhibitor of chloride-induced aluminum corrosion: theoretical calculation and experimental exploration

Tang

Sun

et al. 2021

RSC Adv.

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Cold atom–atom–ion three-body recombination of ⁴He–⁴He–X⁻ (X = H or D)

Cited by 15 publications

References 39 publications

Cold chemistry: a few-body perspective on impurity physics of a single ion in an ultracold bath

Cold chemistry: a few-body perspective on impurity physics of a single ion in an ultracold bath

Theoretical studies on the BC₂N monolayers with promising photoelectronic characteristics and remarkable environmental stabilities

Coumarin as a green inhibitor of chloride-induced aluminum corrosion: theoretical calculation and experimental exploration

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Cold atom–atom–ion three-body recombination of 4He–4He–X− (X = H or D)

Cited by 15 publications

References 39 publications

Cold chemistry: a few-body perspective on impurity physics of a single ion in an ultracold bath

Cold chemistry: a few-body perspective on impurity physics of a single ion in an ultracold bath

Theoretical studies on the BC2N monolayers with promising photoelectronic characteristics and remarkable environmental stabilities

Coumarin as a green inhibitor of chloride-induced aluminum corrosion: theoretical calculation and experimental exploration

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Product

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Cold atom–atom–ion three-body recombination of ⁴He–⁴He–X⁻ (X = H or D)

Theoretical studies on the BC₂N monolayers with promising photoelectronic characteristics and remarkable environmental stabilities