Xun-Lei Ding

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Cerium oxide cluster cations (Ce(m)O(n)(+), m = 2-16; n = 2m, 2m +/- 1 and 2m +/- 2) are prepared by laser ablation and reacted with carbon monoxide (CO) and small hydrocarbon molecules (CH(4), C(2)H(4), and C(2)H(6)) in a fast flow reactor. A time of flight mass spectrometer is used to detect the cluster distribution before and after the reactions. The(More)
Methane activation, involved in the transformation of cheap and abundant natural gas into more valuable organic compounds, is a holy grail in chemistry, and has been studied for decades. Hydrogen atom abstraction (HAA) from CH4 to produce CH3C radicals is considered to be the decisive step in the oxidative dehydrogenation and dimerization of methane. Many(More)
Lanthanum oxide cluster anions are prepared by laser ablation and reacted with n-C(4)H(10) in a fast flow reactor. A time-of-flight mass spectrometer is used to detect the cluster distribution before and after the reactions. (La(2)O(3))(m=1-3)OH(-) and La(3)O(7)H(-) are observed as products, which suggests the occurrence of hydrogen atom abstraction(More)
Vanadium-silicon heteronuclear oxide cluster cations were prepared by laser ablation of a V/Si mixed sample in an O(2) background. Reactions of the heteronuclear oxide cations with methane in a fast-flow reactor were studied with a time-of-flight (TOF) mass spectrometer to detect the cluster distribution before and after the reactions. Hydrogen abstraction(More)
Aluminum-vanadium bimetallic oxide cluster anions (BMOCAs) have been prepared by laser ablation and reacted with ethane and n-butane in a fast-flow reactor. A time-of-flight mass spectrometer was used to detect the cluster distribution before and after the reactions. The observation of hydrogen-containing products AlVO(5)H(-) and Al(x)V(4-x)O(11-x)H(-)(More)
Structures of stoichiometric (La(2)O(3))(n) (n = 1-6) clusters have been systematically studied by theoretical calculations. Global minimum structures for these clusters are determined by genetic algorithm based global optimizations at density functional level. The ground state structure for La(6)O(9) was found to be highly symmetric with point group O(h)(More)
Single, double, triple: Highly selective double H atom abstraction (HAA) from ethane and triple HAA from n-butane by AuNbO(3)(+) clusters have been characterized by mass spectrometry and DFT calculations. The multiple HAAs are initiated by oxygen-centered radicals and promoted by gold. The gold atoms act as electron acceptors during the triple HAAs and help(More)
Saturated hydrocarbons, or alkanes, are major constituents of natural gas and oil. Directly transforming alkanes into more complex organic compounds is a value-adding process, but the task is very difficult to achieve, especially at low temperature. Alkanes can react at high temperature, but these reactions (with oxygen, for example) are difficult to(More)
In this work, we designed a series of superalkali-doped Si12 C12 nanocage M3 O@Si12 C12 (M = Li, Na, K) with donor-acceptor framework. Density functional theory calculations demonstrated that the HOMO-LUMO gap of the complexes conspicuously narrowed with increase of atomic number of the alkali metal, the value decreased from 5.452 eV of pure Si12 C12(More)
V5O12CH4(+) and V5O13CH4(+) clusters are generated from interactions of pregenerated V5O12(+) and V5O13(+) with CH4 in a fast flow reactor, respectively. The two adsorption complexes are then characterized by collision-induced dissociation (CID) and infrared photodissociation (IRPD) methods. The CID studies indicate that CH4 is molecularly adsorbed on(More)