J. Mater. Sci. Technol. ›› 2021, Vol. 76: 11-19.DOI: 10.1016/j.jmst.2020.11.014
• Research Article • Previous Articles Next Articles
Chen Chena, Ying Huanga,*(), Zhuoyue Mengb, Mengwei Lua, Zhipeng Xua, Panbo Liua, Tiehu Lic
Received:
2020-07-01
Revised:
2020-09-10
Accepted:
2020-10-04
Published:
2021-06-20
Online:
2020-11-07
Contact:
Ying Huang
About author:
*E-mail address: yingh@nwpu.edu.cn (Y. Huang).Chen Chen, Ying Huang, Zhuoyue Meng, Mengwei Lu, Zhipeng Xu, Panbo Liu, Tiehu Li. Experimental design and theoretical evaluation of nitrogen and phosphorus dual-doped hierarchical porous carbon for high-performance sodium-ion storage[J]. J. Mater. Sci. Technol., 2021, 76: 11-19.
Fig. 2. SEM images of (a) PC, (b) NPPC-1, (c) NPPC-2 and (d) NPPC-3; TEM images, SAED patterns and lattice distance of (e) PC, (f) NPPC-1, (g) NPPC-2 and (h) NPPC-3; (i) Elemental mappings of NPPC-2.
Sample | d(002) (Å) | La (nm) | IG/ID | SBET (m2 g-1) | pore volume (cm3 g-1) | Composition (at.%) | |||
---|---|---|---|---|---|---|---|---|---|
C | O | N | P | ||||||
PC | 3.774 | 11.70 | 0.609 | 304.24 | 0.164 | 88.99 | 11.01 | - | - |
NPPC-1 | 3.892 | 11.01 | 0.573 | 480.30 | 0.261 | 84.69 | 11.74 | 3.24 | 0.33 |
NPPC-2 | 4.052 | 10.30 | 0.536 | 821.88 | 0.618 | 82.45 | 11.85 | 4.68 | 1.02 |
NPPC-3 | 4.091 | 9.72 | 0.506 | 1234.13 | 1.078 | 81.62 | 12.13 | 5.04 | 1.21 |
Table 1 Physical parameters of PC and NPPC.
Sample | d(002) (Å) | La (nm) | IG/ID | SBET (m2 g-1) | pore volume (cm3 g-1) | Composition (at.%) | |||
---|---|---|---|---|---|---|---|---|---|
C | O | N | P | ||||||
PC | 3.774 | 11.70 | 0.609 | 304.24 | 0.164 | 88.99 | 11.01 | - | - |
NPPC-1 | 3.892 | 11.01 | 0.573 | 480.30 | 0.261 | 84.69 | 11.74 | 3.24 | 0.33 |
NPPC-2 | 4.052 | 10.30 | 0.536 | 821.88 | 0.618 | 82.45 | 11.85 | 4.68 | 1.02 |
NPPC-3 | 4.091 | 9.72 | 0.506 | 1234.13 | 1.078 | 81.62 | 12.13 | 5.04 | 1.21 |
Fig. 4. XPS spectra of NPPC. (a) C 1s spectra; (b) N 1s spectra; (c) P 2p spectra. (d) The simplified model and its frontier molecular orbitals (HOMO and LUMO) of Pure-C, N-Q, N-6, N-5, N-O, P-C and P-O. Among them, the elements of carbon, nitrogen and phosphorus are shown as gray, blue and pink, respectively.
Fig. 5. Sodium storage capacity of NPPC and PC. (a) The CV curves of NPPC-2 at 0.1 mV s-1; (b) GCD curves of NPPC-2 at 50 mA g-1; (c) Cycle performance at 100 mA g-1; (d) Rate capability; (e) GCD curves of NPPC-2 at various current densities; (f) Comparison of rate performance between NPPC-2 and other carbonaceous materials; (g) Long cycle performance.
Fig. 6. (a) EIS analyses; (b) Equivalent circuits; (c) CV of NPPC-2 at various scan rates; (d) B value at different voltages, the inset is log(v) vs log(ip); (e) Capacitive contribution of NPPC-2; (f) Capacitive contribution at various scan rates for NPPC-2; (g) GITT curves of PC and NPPC-2; (h, i) The sodiation and desodiation process of (h) PC and (i) NPPC-2.
Fig. 7. Sodium ion adsorption outside the (a) pure-C model and (b) the N/P-C model; (c) Adsorption energy of various models; The DCD of (d) pure-C and (e) N/P-C; (f) The DOS for pure-C and N/P-C; Sodium ion diffusion path in (g) pure-C and (h) N/P-C; (i) Diffusion barriers of sodium ions in different models.
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