Main content area

Nanostructured CoₓNi₁₋ₓ bimetallic alloys for high efficient and ultrafast adsorption: experiments and first-principles calculations

Sun, Haiming, Yang, Xijia, Zhao, Lijun, Li, Yue, Zhang, Jiamu, Tang, Lu, Zou, Yining, Dong, Cong, Lian, Jianshe, Jiang, Qing
RSC advances 2016 v.6 no.11 pp. 9209-9220
adsorbents, adsorption, alloys, ambient temperature, chemical composition, cobalt, density functional theory, energy, magnetism, nanoparticles, nickel
Use change of composition and surface defects of CoₓNi₁₋ₓ bimetallic alloy prepared at room temperature to improve their adsorption capabilities. Congo red (CR) was used to evaluate the CoₓNi₁₋ₓ bimetallic alloys' adsorption capabilities. At 100 mg L⁻¹ of initial CR concentration, 1000 mg g⁻¹ of adsorption capacity could be achieved by the CoₓNi₁₋ₓ nanoparticles in time range of 2 to 20 minutes. Here, Co₀.₆Ni₀.₄ bimetallic alloy shows the best adsorption efficiency, reaching 1000 mg g⁻¹ at 2 min. Furthermore, density functional theory (DFT) simulations were introduced to understand why Co₀.₆Ni₀.₄ bimetallic alloy had better adsorption efficiency than monometal Co and Ni. Based on DFT simulations, large surface energy, low work function and high reducibility of Co₀.₆Ni₀.₄ bimetallic alloy may be responsible for its high adsorption capability and efficiency. By a further investigation on surface electronic structure, it can be found that the chemical composition and surface defects have influences on d-band center, and a proper d-band center may facilitate to both the high rate of electrons transfer to adsorbate and removal of surface intermediate. The combination of experiment and DFT simulations proved that the adsorption ability of Co₀.₆Ni₀.₄ bimetallic alloy is better than that of single metal, and shows promise as commercial scale magnetic adsorbent.