MIL-96-Al for Li-S Batteries: Shape or Size?

Geng, Pengbiao1; Wang, Lei2; Du, Meng1; Bai, Yang1; Li, Wenting1; Liu, Yanfang3; Chen, Shuangqiang2; Braunstein, Pierre4; Xu, Qiang1,5,6; Pang, Huan1

2021-12-01

10.1002/adma.202107836

ADVANCED MATERIALS   Impact Factor & Quartile

0935-9648

1521-4095

Metal-organic frameworks (MOFs) with controllable shapes and sizes show a great potential in Li-S batteries. However, neither the relationship between shape and specific capacity nor the influence of MOF particle size on cyclic stability have been fully established yet. Herein, MIL-96-Al with various shapes, forming hexagonal platelet crystals (HPC), hexagonal bipyramidal crystals (HBC), and hexagonal prismatic bipyramidal crystals (HPBC) are successfully prepared via cosolvent methods. Density functional theory (DFT) calculations demonstrate that the HBC shape with highly exposed (101) planes can effectively adsorb lithium polysulfides (LPS) during the charge/discharge process. By changing the relative proportion of the cosolvents, HBC samples with different particle sizes are prepared. When these MIL-96-Al crystals are used as sulfur host materials, it is found that those with a smaller size of the HBC shape deliver higher initial capacity. These investigations establish that different crystal planes have different adsorption abilities for LPS, and that the MOF particle size should be considered for a suitable sulfur host. More broadly, this work provides a strategy for designing sulfur hosts in Li-S batteries.

hexagonal bipyramidal crystals hexagonal platelet crystals hexagonal prismatic bipyramidal crystals Li-S batteries MIL-96-Al particle size shuttle effect

SCI ; EI

English

NI Journal Papers ; NI论文 ; ESI Hot Papers ; ESI Highly Cited Papers

Others

National Natural Science Foundation of China[NSFC-U1904215] ; Natural Science Foundation of Jiangsu Province[BK20200044] ; Program for Young Changjiang Scholars of the Ministry of Education[Q2018270] ; Guangdong-Hong Kong-Macao Joint Laboratory[2019B121205001] ; Postgraduate Research & Practice Innovation Program of Jiangsu Province[KYCX20_2805]

Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics

Chemistry, Multidisciplinary ; Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Applied ; Physics, Condensed Matter

WOS:000728689800001

WILEY-V C H VERLAG GMBH

20215011311624

Aluminum compounds ; Crystals ; Density functional theory ; Lithium compounds ; Platelets ; Sulfur

Biology:461.9 ; Chemical Products Generally:804 ; Probability Theory:922.1 ; Atomic and Molecular Physics:931.3 ; Quantum Theory; Quantum Mechanics:931.4 ; Crystalline Solids:933.1

MATERIALS SCIENCE

Web of Science

1.Yangzhou Univ, Sch Chem & Chem Engn, Yangzhou 225009, Jiangsu, Peoples R China
2.Shanghai Univ, Sch Environm & Chem Engn, Dept Chem Engn, 99 Shangda Rd, Shanghai 200444, Peoples R China
3.Huaiyin Inst Technol, Key Lab Palygorskite Sci & Appl Technol Jiangsu P, Natl & Local Joint Engn Res Ctr Mineral Salt Deep, Huaian 223003, Jiangsu, Peoples R China
4.Univ Strasbourg, CNRS, UMR 7177, Lab Chim Coordinat,CHIMIE, 4 Rue Blaise Pascal, F-67081 Strasbourg, France
5.Southern Univ Sci & Technol SUSTech, Guangdong Hong Kong Macao Joint Lab Photon Therma, Dept Mat Sci & Engn, Xueyuan Ave, Shenzhen 518055, Guangdong, Peoples R China
6.Southern Univ Sci & Technol SUSTech, SUSTech Acad Adv Interdisciplinary Studies, Xueyuan Ave, Shenzhen 518055, Guangdong, Peoples R China

Geng, Pengbiao,Wang, Lei,Du, Meng,et al. MIL-96-Al for Li-S Batteries: Shape or Size?[J]. ADVANCED MATERIALS,2021,34.

Geng, Pengbiao.,Wang, Lei.,Du, Meng.,Bai, Yang.,Li, Wenting.,...&Pang, Huan.(2021).MIL-96-Al for Li-S Batteries: Shape or Size?.ADVANCED MATERIALS,34.

Geng, Pengbiao,et al."MIL-96-Al for Li-S Batteries: Shape or Size?".ADVANCED MATERIALS 34(2021).