Search Results - "Feng, Yingxin"
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Simplified Kinetic Model for NH3-SCR Over Cu-CHA Based on First-Principles Calculations
Published in Topics in catalysis (2023)“…Selective catalytic reduction with ammonia as reducing agent ( NH 3 -SCR) is an efficient technology to control NO x emission during oxygen excess. Catalysts…”
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2
Selective hydrogenation of 1,3-butadiene catalyzed by a single Pd atom anchored on graphene: the importance of dynamics
Published in Chemical science (Cambridge) (2018)“…The active-site structure, reaction mechanism, and product selectivity of the industrially important selective hydrogenation of 1,3-butadiene are investigated…”
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3
Identification of Active Sites on High-Performance Pt/Al2O3 Catalyst for Cryogenic CO Oxidation
Published in ACS catalysis (07-08-2020)“…Exclusive Pt species supported on inert substrates have not achieved satisfactory performance for cryogenic CO oxidation because of the constraint of the…”
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The Role of H+- and Cu+‑Sites for N2O Formation during NH3‑SCR over Cu-CHA
Published in Journal of physical chemistry. C (04-03-2021)“…The mechanism for N2O formation over CHA and Cu-CHA zeolite catalysts during NH3-SCR is investigated using density functional theory calculations. Direct…”
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5
Kinetic Monte Carlo Simulations of Low-Temperature NH 3 -SCR over Cu-Exchanged Chabazite
Published in Chemphyschem (26-08-2024)“…Cu-exchanged chabazite (Cu-CHA) is widely used for ammonia assisted selective catalytic reduction of nitrogen oxides (NH -SCR). The Cu ions are at low…”
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6
Kinetic Monte Carlo Simulations of Low‐Temperature NH3‐SCR over Cu‐Exchanged Chabazite
Published in Chemphyschem (16-09-2024)“…Cu‐exchanged chabazite (Cu‐CHA) is widely used for ammonia assisted selective catalytic reduction of nitrogen oxides (NH3‐SCR). The Cu+ ions are at low…”
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Simplified Kinetic Model for $$\hbox {NH}_3$$-SCR Over Cu-CHA Based on First-Principles Calculations
Published in Topics in catalysis (01-08-2023)“…Selective catalytic reduction with ammonia as reducing agent ( $$\hbox {NH}_3$$ NH 3 -SCR) is an efficient technology to control $$\hbox {NO}_\mathrm{x}$$ NO x…”
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8
Range-separated hybrid van der Waals density functionals to describe Cu2O2-complexes
Published in Chemical physics letters (01-12-2024)“…Dimeric copper centers are commonly used to activate molecular oxygen in enzymatic and heterogeneous catalysis where Cu2 is embedded in porous structures. Here…”
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9
Numerical solutions to the Sharma–Tasso–Olver equation using Lattice Boltzmann method
Published in International journal for numerical methods in fluids (01-09-2023)“…A novel numerical scheme depending on Lattice Boltzmann method is proposed to solve the Sharma–Tasso–Olver equation in one, two and three dimension. The local…”
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10
Range-separated hybrid van der Waals density functionals to describe Cu 2 O 2 -complexes
Published in Chemical physics letters (01-12-2024)“…Dimeric copper centers are commonly used to activate molecular oxygen in enzymatic and heterogeneous catalysis where Cu2 is embedded in porous structures. Here…”
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11
Correlating DFT Calculations with CO Oxidation Reactivity on Ga-Doped Pt/CeO2 Single-Atom Catalysts
Published in Journal of physical chemistry. C (04-10-2018)“…Pt/CeO2 single-atom catalysts have recently attracted increasing interest due to excellent thermal stability, high atom efficiency, and high activity in…”
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12
Confined Catalysis in the g‑C3N4/Pt(111) Interface: Feasible Molecule Intercalation, Tunable Molecule–Metal Interaction, and Enhanced Reaction Activity of CO Oxidation
Published in ACS applied materials & interfaces (27-09-2017)“…The deposition of a two-dimensional (2D) atomic nanosheet on a metal surface has been considered as a new route for tuning the molecule–metal interaction and…”
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13
High-Temperature Reaction Mechanism of NH 3 -SCR over Cu-CHA: One or Two Copper Ions?
Published in Journal of physical chemistry. C (25-04-2024)“…Cu-exchanged chabazite (Cu-CHA) shows good performance for selective catalytic reduction of nitrogen oxides using NH3 as a reducing agent (NH3-SCR). The…”
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14
A Pd/Monolayer Titanate Nanosheet with Surface Synergetic Effects for Precise Synthesis of Cyclohexanones
Published in ACS catalysis (01-12-2017)“…A catalyst composed of monolayer nonstoichiometric titanate nanosheets (denoted as TN) and Pd clusters is constructed for precise synthesis of cyclohexanone…”
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15
Redox mediators stimulated chain elongation process in fluidized cathode electro-fermentation systems for caproate production
Published in Journal of environmental management (15-12-2023)“…Medium chain fatty acids (MCFAs), the secondary products of traditional anaerobic fermentation, can be produced via chain elongation (CE), a process often…”
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The role of hydrochloric acid pretreated activated carbon in chain elongation of D-lactate to caproate: Adsorption and facilitation
Published in Environmental research (15-09-2023)“…Medium chain fatty acids (MCFA) generation is attracting growing interest due to fossil fuel depletion. To promote the production of MCFA, especially caproate,…”
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Phosphomolybdic acid supported atomically dispersed transition metal atoms (M = Fe, Co, Ni, Cu, Ru, Rh, Pd, Ag, Os, Ir, Pt, and Au): stable single atom catalysts studied by density functional theory
Published in RSC advances (01-01-2017)“…By means of first-principles calculations, the interaction of twelve different transition metal atoms (M = Fe, Co, Ni, Cu, Ru, Rh, Pd, Ag, Os, Ir, Pt, and Au)…”
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18
Space fractional-order modeling for the sintering process of metal fibers via Lattice Boltzmann method
Published in Mathematics and computers in simulation (01-12-2023)Get full text
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19
The Role of H + - and Cu + -Sites for N 2 O Formation during NH 3 -SCR over Cu-CHA
Published in Journal of physical chemistry. C (04-03-2021)Get full text
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20
First-Principles Microkinetic Model for Low-Temperature NH3‑Assisted Selective Catalytic Reduction of NO over Cu-CHA
Published in ACS catalysis (03-12-2021)“…A first-principles microkinetic model is developed to investigate the low-temperature ammonia-assisted selective catalytic reduction (NH3-SCR) of NO over…”
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