Fuyi Chen

Fuyi Chen
University of Birmingham · School of Chemistry

About

111
Publications
13,399
Reads
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2,413
Citations
Citations since 2016
47 Research Items
1970 Citations
20162017201820192020202120220100200300400
20162017201820192020202120220100200300400
20162017201820192020202120220100200300400
20162017201820192020202120220100200300400
Additional affiliations
November 2013 - present
Northwestern Polytechnical University
Position
  • Professor (Full)
January 2007 - December 2008
University of Birmingham

Publications

Publications (111)
Article
Surface reconstruction processes and effects of reconstructed species during the formate oxidation reaction (FOR) remain unclear, limiting the ability to guide the design of efficient stable electrocatalysts through the reconstruction-performance relationship. In this paper, globally stable structures of the adlayer-alloy interface on AgPdF alloy f...
Article
The emergence of heterointerfaces with two-dimensional oxide films grown on metal substrates has opened up a completely new opportunity for the development of energy conversion catalysts. However, mechanistic understanding for their enhancement in catalytic activity and guidance to precisely control their catalytic performance are still lacking. He...
Article
The methanol oxidation reaction (MOR) is crucial in many energy-conversion devices. Although intensive efforts have been devoted to improving the MOR catalytic activity of Pt-based catalysts by treatment or alloying, enhancing the MOR catalyst performance utilizing solar energy has been less investigated. PtAg nanoalloys, combining the intrinsic ca...
Article
The early stage of oxidation on Pd6@Ag32 and Ag6@Pd32 core-shell nanoalloys are calculated by the surface phase stability diagrams using a first-principles atomistic thermodynamics method in oxidizing atmospheres. Ag38 nanoparticle with ΔμO = − 0.95 eV is more stable than Pd38 nanoparticle with ΔμO = − 1.3 eV. Unexpectedly, Pd6@Ag32 core-shell nano...
Article
Full-text available
The geometric structure of 38-atom AgPd and AgCu nanoalloys is obtained by the genetic algorithm and density functional theory for all compositions and their surface phase stability diagrams are established to provide a clear image for the initial oxidation process. Ag surface segregation is confirmed for both AgPd and AgCu nanoalloys in vacuum. Pu...
Article
Surface Pourbaix diagrams for 38-atom AgPd nanoalloys with different Ag/Pd ratio are constructed based on the density functional theory calculations, with an increasing electrode potential, the adsorbed hydroxides increase on the surface of nanoparticle and convert to oxygen atoms partially sunk into subsurface. AgPd nanoalloys with a core-shell st...
Article
Surface reconstruction of AgPd nanoalloys can improve their catalytic activity; however, the instability of surface oxides formed by reconstruction greatly limits the further application of the catalysts. Herein, a density functional theory calculation is first employed to reveal that surface oxidation and fluorination can modify the Ag atomic char...
Article
Developing efficient catalysts with a low onset potential and exceptional stability toward the formate oxidation reaction (FOR) is highly crucial for practical scale-up of direct formate fuel cells, but still remains a formidable challenge. Herein, density functional theory calculations are first employed to investigate a PdAgIr nanoalloy and provi...
Article
The widespread commercial application of direct formate fuel cell (DFFC) is limited by the lack of efficient electrocatalysts for the formate oxidation reaction (FOR). AgPdCo hollow nanospheres (H-NSs) with jagged surfaces are successfully synthesized via a facile method involving the wet-chemical synthesis of AgPdCo nanospheres (NSs) and galvanic...
Article
Direct formate fuel cells (DFFCs) have received great interest as potential candidates of power sources, and their viability primarily relies on exploration of efficient formate oxidation reaction (FOR) catalysts. Herein, we have prepared PdAgRu nanoparticles supported on polybenzimidazole wrapped carbon nanotubes (pCNTs), Pd6Ag3Ru1/pCNTs catalyst...
Article
Promoting formate oxidation reaction (FOR) is central to develop promising direct formate fuel cells, but current electrocatalysts are suffering from low activity and ultra-poor stability. Herein, the ternary PdAgRh nanoalloys with ultrathin two-dimensional architecture are for the first time synthesized and employed as a novel class of electrocata...
Article
Full-text available
High-performance Pd-based nanocatalysts for alkaline methanol and formate fuel cells have aroused wide attention. Hence, a series of ternary Pd-Au-Ag nanoalloys are synthesized on the carbon nanotubes and demonstrate a promising activity and unexpectedly high stability for the formate oxidation reaction (FOR) in alkaline medium. The ternary Pd3Au3A...
Article
To address the sluggish kinetics of the electrochemical oxygen reduction reaction (ORR), we consider a family of silver-based dilute nanoalloys by alloying the Ag(1 1 1) with one 3d transition metal atom M (M = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn) as ORR catalysts in alkaline media. The M1Ag(1 1 1) dilute nanoalloys exhibit higher stability when...
Article
Developing the nanoalloys with well-designed chemical ordering and understanding the correlation between the chemical ordering and catalytic property remain a challenge, yet represent an effective strategy to improve the performance of the nanoalloys. Herein, three AgPd-based nanoalloys with different composition-segregation types, namely, alloy (m...
Article
Formate is a kind of carbon-neutral fuel that can be synthesized from electrochemical conversion of CO2, however, the generated aqueous formate electrolyte is still short of potential application. Here, formate solution is proposed to be utilized as anode fuels of direct formate fuel cells through the formate oxidation reaction (FOR), and graphene...
Article
Direct formate fuel cells are promising future power sources due to their environmental friendliness and cost effectiveness. However, their further development and application are hindered by the lack of high-activity catalysts for the formate oxidation reaction (FOR). For the first time, alloying Pd and Ce in inverse CeO2/Pd nanoparticles is obser...
Article
The large-scale practical application of formate oxidation reaction (FOR) catalysts is hindered by their low activity and high cost. Herein, for the first time, a series of Pd-doped Ag dilute nanoalloys are demonstrated to have high catalytic activity in FOR with reduced consumption of Pd metals through density functional theory calculations, where...
Article
Hydrogen oxidation and evolution reactions (HOR and HER) in alkaline media are very kinetically sluggish, which becomes one of major barriers for the breakthrough of anion exchange membrane fuel cells. Thus, developing highly active and economically competitive HOR/HER electrocatalysts for alkaline electrolytes is of critical importance to realize...
Article
Engineering nanoparticle surface driven by various gas atmospheres has attracted intensive attention to design efficient electrocatalysts for sustainable energy applications, however, developing a more facile and efficient in-situ engineering strategy under electrochemical testing conditions to achieve surface-reconstruction-induced high performanc...
Article
Rechargeable Li-CO2 batteries are attracting increasing attention due to their high energy density and ability to capture greenhouse gas CO2. However, the difficulty in decomposing electronically insulating and electrochemically sluggish Li2CO3 discharge products under low charge voltages is still a major challenge. Herein, for the first time, a co...
Article
Rechargeable zinc-air batteries are typical environment-friendly energy storage devices with high energy density and low cost. Nevertheless, dendrite formation and self-corrosion of zinc anode directly reduce battery performance. Herein, we report a novel Cu foam substrate with uniform Ag nanoparticles deposited on the surface as three-dimensional...
Article
Direct formate fuel cells (DFFCs) are promising energy conversion devices due to their high power density, easy fuel storage/transport and good environmental compatibility, but even platinum-group-metal (PGM, e.g. Pt, Pd) electrocatalysts are still limited by their low catalytic activity and stability for formate oxidation reactions (FORs) in alkal...
Article
Exploring cheap and efficient electrocatalysts for oxygen reduction reaction (ORR), oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) as alternative to the precious metal-based electrocatalysts is crucial in energy storage and conversion devices. Herein, we report carbon nanofibers supported NiCo nanoalloys encapsulated in N-dop...
Article
Full-text available
The plasmonic-enhanced catalytic activity of methanol oxidation on Au-based catalysts provides a promising strategy for direct methanol fuel cells (DMFCs) to avoid the CO poisoning of traditional Pt-based catalysts. However, the effect of surface plasmon resonance on the light-enhanced methanol oxidation activity of Au or Au-based catalysts has not...
Article
Full-text available
Li‐CO2 batteries have attracted ever increasing attention due to their high energy and power densities. However, Li2CO3 formed during the discharge process is difficult to decompose, leading to a large charge overpotential and poor cyclability. Thus, high‐performance and low‐cost catalysts that can be integrated into the electrode architecture are...
Article
The surface plasmon-enhanced catalytic performance of gold caviar-like assembly (Au-CA) in methanol electrooxidation was investigated with or without simulated solar irradiation. The Au-CA catalyst synthesized through ion-sputtering method not only exhibited an excellent anodic peak current (115.86 μA μg−1) but also showed long-term catalytic stabi...
Article
Full-text available
The exploration and rational design of cost–effective, highly active and durable catalysts for oxygen electrochemical reaction is crucial to actualize the prospective technologies such as metal air batteries and fuel cells. Herein manganese cobalt oxide nanoparticles anchored on carbon nanofibers and wrapped in nitrogen doped carbon shell (MCO/CNFs...
Article
We for the first time reported the successful synthesis of self-assembled AuCu aerogels via a one-pot kinetically-controlled approach. The startling electronic modulation effect of Cu on Au was observed across the entire alloy composition range, where the optimal upshift of d-band center for the highest activities was 0.24 eV. Due to the combinatio...
Article
Zero-dimensional nanoparticles (NPs) have been demonstrated as the promising class of catalysts for various chemical and electrochemical reactions. However, the emerging Au-Ag NPs catalysts are suffering from the single functionality, limited activity enhancement and unsatisfactory stability problems. Here we report a facile kinetically-controlled...
Article
A nanosandwich made from Ag nanoparticles (Ag NPs) arrays, the two-dimension single-layer graphene (SG) and metallic Cu contact was constructed for the hydrogen peroxide (H2O2) generation utilizing solar energy without an external bias. The shifting of binding energy towards lower energy in Ag core-level electronic spectrum is an evidence of strong...
Article
Incorporating an oxophilic metal into the noble metal to produce a cost-effective Ag3Sn nano-intermetallic is an emerging approach to enhance the catalytic activity of monometallic Ag in fuel cells, which is different from previous notions that consider a transition metal to increase the catalytic property of Pt. The Ag3Sn electrocatalyst is prepar...
Article
Spinel MnCo2O4 nanoparticles on nitrogen-doped reduced graphene oxide (MnCo2O4/NGr) are synthesized for advanced zinc–air batteries with remarkable cyclic efficiency and stability. The synthesized MnCo2O4/NGr exhibits good oxygen-reduction reaction (ORR) activity with half-wave potential E1/2 of 0.85 V (vs reversible hydrogen electrode (RHE)), comp...
Article
Highly active electrocatalysts with a novel bimetallic arrangement of atoms for the oxygen reduction reaction (ORR) are vital for the commercialization of fuel cells. An accurate understanding of the origin of activity enhancement is essential for exploiting any novel bimetallic catalyst. In this work, the reaction activation energy, reaction free...
Article
A novel one-pot approach for synthesizing the dealloyed nanomaterials at room temperature is introduced for the first time. In such a synthetic strategy, applying modulated potentials effectively simplifies the traditional dealloying route, which usually requires additional corrosion process to dissolve nonprecious metals. The dealloyed AuNi nanode...
Article
Crystallography of phase transformation combining transmission electron microscopy (TEM) with in situ heating techniques and X-ray diffraction (XRD) can provide critical information regarding solid-state phase transitions and the transition-induced interfaces in TiO2 nanomaterials theoretically and experimentally. Two types of reduced titanium oxid...
Article
Development of highly active and stable Pt-free oxygen reduction reaction catalysts from earth-abundant elements remains a grand challenge for highly demanded metal-air batteries. Ag-based alloys have many advantages over platinum group catalysts due to their low cost, high stability, and acceptable oxygen reduction reaction (ORR) performance in al...
Article
The electrocatalytic activity of Pt-based alloys exhibits a strong dependence on their electronic structures, but a relationship between electronic structure and oxygen reduction reaction (ORR) activity in Ag-based alloys is still not clear. Here, a vapor deposition based approach is reported for the preparation of Ag75M25 (M = Cu, Co, Fe, and In)...
Article
Full-text available
Bimetallic AuNi nanodendrite catalysts have been prepared for the oxygen reduction reaction (ORR) in alkaline media by a facile electrodeposition and electrochemical dealloying method. The dealloyed AuNi catalyst consists of hierarchical dendrites with a high electrochemically active surface area. The half-wave potential (E1/2) of the dealloyed AuN...
Article
In this work, the formation and evolution mechanism of nanocavities generated on the surface of TiO2 nanofibers during the phase transformation were investigated through ex situ and in situ transmission electron microscopy and X-ray diffraction. The results indicate that the calcination atmosphere plays an important role in the morphology of the na...
Article
Full-text available
Oxygen reduction reaction (ORR) plays a crucial role in electrochemical energy conversion and storage devices such as alkaline fuel cells and metal-air batteries. These systems which could employ non platinum catalysts for oxygen reduction are cheaper and stable alternatives to their expensive counterparts such as proton exchange membrane fuel cell...
Article
Highly active electrocatalysts with good long term stability are vital for the commercialization of metal air batteries and alkaline fuel cells which involve the oxygen reduction reaction (ORR) at the cathode end. Herein, we developed a pulsed laser deposition (PLD) technique for the precise fabrication of silver-copper metallic glass(AgCu-MG) elec...
Article
The dependence of optical properties on the hole shape, period of nanohole arrays and metal film thickness, in thick silver film perforated with “high density nanohole arrays” is investigated using the finite difference time domain technique. The physical mechanism behind the light phenomena is discussed: the coupling between localized plasmon reso...
Article
Full-text available
A novel Ag50Cu50 film electrocatalyst for oxygen reduction reaction (ORR) was prepared by pulsed laser deposition (PLD) method. The electrocatalyst actually is Ag-Cu alloyed nanoparticles embedded in amorphous Cu film, based on transmission electron microscopy (TEM) characterization. The rotating disk electrode (RDE) measurements provide evidence t...
Article
Full-text available
Metal clusters (CLs) and nanoparticles (NPs) are promising on account of their unique properties which cannot be achieved from their bulk counterparts. Discrete electronic excitations in metal CLs and the characteristic surface plasmon resonance (SPR) phenomenon in metal NPs make them optically attractive and versatile photosensitizers in photovolt...
Article
The wide band-gap of TiO2 semiconductors hinders the photocatalytic hydrogen generation under visible light. In this research, we introduce glutathione-protected gold (Au-GSH) nanoclusters as a sensitizer to extend the active region of TiO2 up to a wavelength of 510 nm under visible light spectrum. We demonstrate that Au-GSH nanoclusters are capabl...
Article
A carbon-free and binder-free catalyst layer composed of a Ag-Cu nanoalloy on Ni foam was used as the air cathode in a zinc-air battery for the first time. The Ag-Cu catalyst was prepared using pulsed laser deposition. The structures of the catalysts were found to consist of crystalline Ag-Cu nanoalloy particles with an average size of 2.58 nm embe...
Article
Full-text available
The structure of 38 atoms Ag-Cu cluster is studied by using a combination of a genetic algorithm global optimization technique and density functional theory (DFT) calculations. It is demonstrated that the truncated octahedral (TO) Ag32Cu6 core-shell cluster is less stable than the polyicosahedral (pIh) Ag32Cu6 core-shell cluster from the atomistic...
Article
A highly efficient Ag-Cu electrocatalyst is synthesized by the electrodeposition method and characterized with respect to its catalytic activity in the oxygen reduction reaction (ORR) and its tolerance to carbonate ions in a zinc-air battery. Cyclic voltammetry and rotating-disk electrode analyses suggest that the Ag50Cu50 electrocatalyst is 2.5 ti...
Article
We investigate effects of alloying Ag-Au clusters on optical absorptions and performances of solar cells. Against optical spectra of pure Ag and Au clusters, the optical spectrum of Ag-Au clusters redshifts and broadens. The alloying Ag-Au clusters modified TiO2 electrode improves short-circuit current density and maximum power conversion efficienc...
Article
A NiCu composite electrode with hierarchical structure has been successfully fabricated by an electrochemical method, which consisted of galvanic replacement reaction (GRR), activation process and cyclic voltammetry (CV) treatment. The three-dimensional (3D) Ni–Cu precursors were prepared firstly by dipping Ni foam into three kinds of different cop...
Article
We have studied the role of the phenyl-butyric-acid-methyl-ester side chain in the solar absorption of fullerene derivatives PC61BM. The UV–Vis–NIR spectra are calculated with the linear response theory within time-dependent density functional theory. The initial and final orbitals of the optical transitions in solar spectrum range are analyzed in...
Article
The UV-visible absorption spectra of Ag-n and Agn-1Cu1 (n=2-8, 13, 20, 32) clusters were investigated in the framework of TD-DFT using LC-omega PBE (omega=0.40) and the Raman and vibration spectra of Ag-n and Agn-1Cu1 (n=2-8, 13, 20, 32, 55) clusters were calculated by the DFT/GGA/PEE. The UV-visible absorption, Raman, vibration spectra of pure sil...
Article
The development of fuel cells as clean-energy technologies is largely limited by the prohibitive cost of the noble-metal catalysts needed for catalyzing the oxygen reduction reaction (ORR) in fuel cells. A fundamental understanding of catalyst design principle that links material structures to the catalytic activity can accelerate the search for hi...
Article
Full-text available
The TiO2 (B)/anatase dual-phase nanofiber exhibits enhanced photocatalytic activity when interfaces form during phase transformation of TiO2. To precisely control the formation of coherent interfaces between TiO2 (B) and anatase, a thorough knowledge of phase transformation particularly from TiO2 (B) to anatase (TA) is required. In our study, a cry...
Article
We investigate the effects of shape and single-atom doping on the structural, optical absorption, Raman, and vibrational properties of Ag13, Ag12Cu1, Cu13, and Cu12Ag1 clusters by using the (time-dependent) density functional theory. The results show that the most stable structures are cuboctahedron (COh) for Ag13 and icosahedron (Ih) for Cu13, Ag1...
Article
Full-text available
The phase transition from H2Ti3O7 to TiO2 (B) in a 1D single nanocrystal of H2Ti3O7 was observed by in situ heating in a transmission electron microscope experimentally. The results indicate a typical monoclinic-to-monoclinic crystallographic orientation relationship between the two phases. Moreover, the fundamental building blocks and invariant de...
Article
We investigated the single exciton and multiple exciton generation (MEG) behavior in Ag7 and single Cu atom-doped Ag7 quantum clusters using ab initio. MEG is observed for the first time in metal clusters. The results indicate that multiple excitons appear in the visible and near ultraviolet light ranges. Single excitations are main contribution fo...
Article
The optical, Raman and vibrational properties of 8-atom closed shell Ag–Cu clusters are systemically investigated within the framework of density functional theory with eight kinds of exchange-correction functionals: generalized gradient approximation (GGA) and local-density approximation (LDA), as well as DFT-based semi-core pseudopotential (Dspp)...
Article
The present paper describes the studies on the adsorption behavior and charge transfer from isonicotinic acid to silver nanoparticles with experiment and theory. Compared with UV–Visible adsorption spectrum, the adsorption spectrum of Ih-Ag13 cluster was quite good agreed with that of silver colloidal nanoparticle. So that one Ag13 cluster as a sub...
Article
The structures and electronic properties of 7-atom silver and copper bimetallic clusters are systematically investigated by density functional theory (DFT) in the theoretical frame of the generalised gradient approximation (GGA) exchange-correlation functional. Optical absorption, Raman spectra, as well as vibrational spectra are calculated by DFT/...
Article
Ag-Cu alloy nanodendrites were synthesized by the electrochemical deposition method. They exhibit unusual alloy state with unique growth direction of. The structure of the Ag-Cu alloy nanodendrite was revealed to be L12 Ag3Cu, in which the Cu atoms are at the corners while the Ag atoms are at the face centers. It is worth mentioning that the L12 or...
Article
Full-text available
ZnO-Zn Schottky film diodes were fabricated by two-step anodization in a sodium hydrate solution on zinc substrate. X-ray diffraction (XRD) pattern and energy dispersive X-ray (EDS) analysis indicated the synthesized ZnO crystal possessed a wurtzite structure. The nonlinear behavior was observed in the current-voltage (I-V) measurements, and the fi...
Article
In this study, the structures and magnetic properties of Cu single-doped Ag clusters are investigated by density functional theory (DFT). The optical spectrum of their neutral and charged states (-1,+1) are then examined by improved time-dependent DFT. Results show that Cu-doped site and charge affects not only structural stability of Ag-55 cluster...