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Zhang, Wenjing

Publications and source records attributed to Zhang, Wenjing.

5 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Bond Energies of UO + and UC + : Guided Ion Beam and Quantum Chemical Studies of the Reactions of Uranium Cation with O 2 and CO

Here, guided ion beam tandem mass spectrometry was used to examine the kinetic energy dependent reactions of U + with O 2 and CO. In the reaction of U + with O 2 , the UO + product is formed in a barrierless and exothermic process with a reaction efficiency at low energies of k/k col =1.1±0.2, but increases at higher collision energies. Formation of both UO + and UC + in the reaction of U + with CO is endothermic. 0 K bond dissociation energies (BDEs) of D 0 (U + -O)=7.88±0.09 eV and D 0 (U + -C)=4.03±0.13 eV were determined by analyzing the kinetic energy dependent cross sections in the latter endothermic reactions. These values are within experimental uncertainty of previously reported experimental values. Additionally, the electronic states of UO + and UC + and the potential energy surfaces for the reactions were explored by quantum chemical calculations. The former include a full Feller-Peterson-Dixon composite approach with correlation contributions up to CCSDT(Q) for UO and UO + , yielding D 0 (U-O)=7.82 eV and D 0 (U + -O)=7.99 eV, as well as more approximate CCSD(T) calculations where a semi-empirical model was used to estimate spin-orbit energy contributions, which are generally found to improve the agreement with experiment. Both experimental BDEs are observed to be close to those of their transition metal congeners, ScL + , YL + , and GdL + (L=O and C).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Removal of phosphorus using biochar derived from Fenton sludge: Mechanism and performance insights

Abstract A phosphorus removal biochar adsorbent was prepared from Fenton sludge. The adsorption process was optimized, and its phosphorus adsorption mechanism was discussed. It was found that the phosphorus adsorption performance of biochar prepared from single Fenton sludge (FBC‐400) was better than that of co‐pyrolysis of Fenton sludge and bamboo powder. The optimum condition was that Fenton sludge pyrolyzed at 400°C (FBC‐400). FBC‐400 had a larger specific surface area than that prepared by co‐pyrolysis with bamboo powder. And the high content of iron element could provide a higher surface charge of the biochar, thereby increasing the electrostatic adsorption of phosphorus onto FBC‐400. The phosphorus adsorption was highly pH dependent by FBC‐400, which can enhance electrostatic adsorption and increase adsorption capacity in acidic conditions. The effect of coexisting anion on adsorption performance was mainly affected by CO 3 2− , reducing the adsorption capacity by at least 49%, whereas other anions had no obvious interference. The adsorption process of FBC‐400 accorded with the pseudo‐second‐order kinetic model and the Langmuir model, which indicated that the adsorption process was monolayer adsorption and mainly chemical adsorption, and the maximum saturated phosphorus adsorption capacity was 8.77 mg g −1 . The mechanisms for phosphorus adsorption were electrostatic adsorption and inner‐sphere complexing. 1 M NaOH was used for desorption, and the adsorption capacity remained at 81% in the fifth cycle. Practitioner Points The Fenton sludge biochar usage as an adsorbent could be a win‐win strategy to convert waste biomass to valuable ‐ product. The adsorption process accorded with the Langmuir model, the maximum phosphorus adsorption capacity was 8.77 mg/g at 25°C. The adsorption mechanisms were electrostatic adsorption and inner‐sphere complexing. 1M NaOH was used for desorption, and the adsorption capacity remained at 81% in the fifth cycle.

Liu, Yanfang↗
DOE OSTI2022

Post-flowering Soil Waterlogging Curtails Grain Yield Formation by Restricting Assimilates Supplies to Developing Grains

Soil waterlogging is among the major factors limiting the grain yield of winter wheat crops in many parts of the world, including the middle and lower reaches of the Yangtze River China. In a field study, we investigated the relationship between leaf physiology and grain development under a varying duration of post-flowering waterlogging. A winter wheat cultivar Ningmai 13 was exposed to soil waterlogging for 0 (W0), 3 (W3), 6 (W6), and 9 d (W9) at anthesis. Increasing waterlogging duration significantly reduced flag leaf SPAD (soil plant analysis development) values and net photosynthetic rate (Pn). There was a linear reduction in flag leaf Pn and SPAD as plant growth progressed under all treatments; however, the speed of damage was greater in the waterlogged leaves. For example, compared with their respective control (W0), flag leaves of W9 treatment have experienced 46% more reduction in Pn at 21 d after anthesis (DAA) than at 7 DAA. Increasing waterlogging duration also induced oxidative damage in flag leaves, measured as malondialdehyde (MDA) contents. The capacity to overcome this oxidative damage was limited by the poor performance of antioxidant enzymes in wheat leaves. Inhibited leaf Pn and capacity to sustain assimilate synthesis under waterlogged environments reduced grain development. Compared with W0, W6 and W9 plants experienced a 20 and 22% reduction in thousand grain weight (TGW) in response to W6 and W9, respectively at 7 DAA and 11 and 19%, respectively at 28 DAA. Sustained waterlogging also significantly reduced grain number per spike and final grain yield. Averaged across two years of study, W9 plants produced 28% lesser final grain yield than W0 plants. Our study suggested that wheat crops are highly sensitive to soil waterlogging during reproductive and grain filling phases due to their poor capacity to recover from oxidative injury to photosynthesis. Management strategies such as planting time, fertilization and genotype selection should be considered for the areas experiencing frequent waterlogging problems.

Ma, Shangyu↗
DOE OSTI2020

Enhanced Electrocatalytic Hydrogen Evolution Activity in Single-Atom Pt-Decorated VS 2 Nanosheets

Enhancing catalytic activity by decorating noble metals in catalysts provides an opportunity for promoting the electrocatalytic hydrogen evolution reaction (HER) application. However, there are few systematic studies on regulating the structures of noble metals in catalytic materials and investigating their influence on HER. Herein, Pt catalysts with different structures including single atoms (SAs), clusters, and nanoparticles well-controllably anchored on VS 2 nanosheets through a cost-effective optothermal method are reported, and their HER performance is studied. The most efficient Pt-decorated VS 2 catalyst (with both Pt SAs and clusters) delivers an overpotential of 77 mV at 10 mA cm –2 , close to that of Pt/C (48 mV). However, the optimal mass activity of Pt (normalizing to Pt content) is obtained from only SA Pt-decorated VS 2 (i.e., 22.88 A mg Pt –1 at 200 mV) and is 12 times greater than that of the Pt/C (1.87 A mg Pt –1 ), attributed to the greatly enhanced Pt utilization. Additionally, the theoretical simulations reveal that Pt SA decoration makes the adsorption free energy of H* closer to the thermoneutral value and improves the charge-transfer kinetics, significantly enhancing HER activity. Furthermore, this work offers a pathway to prepare the desired catalyst based on synergy of Pt structures and VS 2 and reveals the intrinsic mechanism for enhancing catalytic activity, which is important for HER applications.

36 MATERIALS SCIENCE↗