共 51 条
First-principles investigation of V2CSe2 MXene as a potential anode material for non-lithium metal ion batteries
被引:16
作者:

Wang, Yanzong
论文数: 0 引用数: 0
h-index: 0
机构:
Huaiyin Inst Technol, Fac Math & Phys, Huaian 223003, Jiangsu, Peoples R China Huaiyin Inst Technol, Fac Math & Phys, Huaian 223003, Jiangsu, Peoples R China

Ma, Yihan
论文数: 0 引用数: 0
h-index: 0
机构:
Huaiyin Inst Technol, Fac Math & Phys, Huaian 223003, Jiangsu, Peoples R China Huaiyin Inst Technol, Fac Math & Phys, Huaian 223003, Jiangsu, Peoples R China

Zhang, Qinfang
论文数: 0 引用数: 0
h-index: 0
机构:
Yancheng Inst Technol, Sch Mat Sci & Engn, Yancheng 224051, Peoples R China Huaiyin Inst Technol, Fac Math & Phys, Huaian 223003, Jiangsu, Peoples R China

Huang, Rui
论文数: 0 引用数: 0
h-index: 0
机构:
Huaiyin Inst Technol, Fac Math & Phys, Huaian 223003, Jiangsu, Peoples R China Huaiyin Inst Technol, Fac Math & Phys, Huaian 223003, Jiangsu, Peoples R China

Gao, Benling
论文数: 0 引用数: 0
h-index: 0
机构:
Huaiyin Inst Technol, Fac Math & Phys, Huaian 223003, Jiangsu, Peoples R China Huaiyin Inst Technol, Fac Math & Phys, Huaian 223003, Jiangsu, Peoples R China

Li, Zhongwen
论文数: 0 引用数: 0
h-index: 0
机构:
Huaiyin Inst Technol, Fac Math & Phys, Huaian 223003, Jiangsu, Peoples R China Huaiyin Inst Technol, Fac Math & Phys, Huaian 223003, Jiangsu, Peoples R China

Li, Guannan
论文数: 0 引用数: 0
h-index: 0
机构:
Huaiyin Inst Technol, Fac Math & Phys, Huaian 223003, Jiangsu, Peoples R China Huaiyin Inst Technol, Fac Math & Phys, Huaian 223003, Jiangsu, Peoples R China

Liang, Feng
论文数: 0 引用数: 0
h-index: 0
机构:
Huaiyin Inst Technol, Fac Math & Phys, Huaian 223003, Jiangsu, Peoples R China Huaiyin Inst Technol, Fac Math & Phys, Huaian 223003, Jiangsu, Peoples R China
机构:
[1] Huaiyin Inst Technol, Fac Math & Phys, Huaian 223003, Jiangsu, Peoples R China
[2] Yancheng Inst Technol, Sch Mat Sci & Engn, Yancheng 224051, Peoples R China
基金:
中国国家自然科学基金;
关键词:
Metal-ion battery;
Anode material;
V2CSe2;
MXene;
First-principles;
NA-ION;
LI;
MONOLAYER;
ELECTRODE;
CHALLENGES;
POINTS;
D O I:
10.1016/j.cap.2022.06.001
中图分类号:
T [工业技术];
学科分类号:
08 ;
摘要:
The electrochemical performances of the V2CSe2 MXene as anode materials for Na, K, Mg, Ca, and Al-ion batteries have been systematically investigated by the first-principles method. The adsorption energies of metal atoms show that Na, K, and Ca atoms can effectively adsorb on the V2CSe2, except for Mg and Al atoms. The large diffusion constants for Na, K, and Ca atoms calculated by the diffusion energy barriers (0.098 eV for Na, 0.066 eV for Ca, and 0.24 eV for Ca) indicate the high mobility on the V2CSe2 surface. Significantly, the maximum theoretical capacities of V2CSe2 reach up to 394.12 mA h/g for Na and Ca ions. Furthermore, the low average open-circuit voltage (OCV) (0.150 V for Na, 0.175 V for K, and 0.072 V for Ca) indicates the V2CSe2 is a suitable anode material. These results provide fundamental guidance for the V2CSe2 monolayer as anode materials of non-lithium metal-ion batteries.
引用
收藏
页码:7 / 13
页数:7
相关论文
共 51 条
[1]
PROJECTOR AUGMENTED-WAVE METHOD
[J].
BLOCHL, PE
.
PHYSICAL REVIEW B,
1994, 50 (24)
:17953-17979

BLOCHL, PE
论文数: 0 引用数: 0
h-index: 0
机构: IBM Research Division, Zurich Research Laboratory
[2]
Novel, electrolyte solutions comprising fully inorganic salts with high anodic stability for rechargeable magnesium batteries
[J].
Doe, Robert E.
;
Han, Ruoban
;
Hwang, Jaehee
;
Gmitter, Andrew J.
;
Shterenberg, Ivgeni
;
Yoo, Hyun Deog
;
Pour, Nir
;
Aurbach, Doron
.
CHEMICAL COMMUNICATIONS,
2014, 50 (02)
:243-245

Doe, Robert E.
论文数: 0 引用数: 0
h-index: 0
机构:
Pell Technol, Cambridge, MA 02139 USA Pell Technol, Cambridge, MA 02139 USA

Han, Ruoban
论文数: 0 引用数: 0
h-index: 0
机构:
Pell Technol, Cambridge, MA 02139 USA Pell Technol, Cambridge, MA 02139 USA

Hwang, Jaehee
论文数: 0 引用数: 0
h-index: 0
机构:
Pell Technol, Cambridge, MA 02139 USA Pell Technol, Cambridge, MA 02139 USA

Gmitter, Andrew J.
论文数: 0 引用数: 0
h-index: 0
机构:
Pell Technol, Cambridge, MA 02139 USA Pell Technol, Cambridge, MA 02139 USA

Shterenberg, Ivgeni
论文数: 0 引用数: 0
h-index: 0
机构:
Bar Ilan Univ, Dept Chem, IL-92100 Ramat Gan, Israel Pell Technol, Cambridge, MA 02139 USA

论文数: 引用数:
h-index:
机构:

Pour, Nir
论文数: 0 引用数: 0
h-index: 0
机构:
Bar Ilan Univ, Dept Chem, IL-92100 Ramat Gan, Israel Pell Technol, Cambridge, MA 02139 USA

Aurbach, Doron
论文数: 0 引用数: 0
h-index: 0
机构:
Bar Ilan Univ, Dept Chem, IL-92100 Ramat Gan, Israel Pell Technol, Cambridge, MA 02139 USA
[3]
Potassium secondary cell based on Prussian blue cathode
[J].
Eftekhari, A
.
JOURNAL OF POWER SOURCES,
2004, 126 (1-2)
:221-228

Eftekhari, A
论文数: 0 引用数: 0
h-index: 0
机构:
Electrochem Res Ctr, Tehran, Iran Electrochem Res Ctr, Tehran, Iran
[4]
Challenges in the development of advanced Li-ion batteries: a review
[J].
Etacheri, Vinodkumar
;
Marom, Rotem
;
Elazari, Ran
;
Salitra, Gregory
;
Aurbach, Doron
.
ENERGY & ENVIRONMENTAL SCIENCE,
2011, 4 (09)
:3243-3262

Etacheri, Vinodkumar
论文数: 0 引用数: 0
h-index: 0
机构:
Bar Ilan Univ, Dept Chem, IL-52900 Ramat Gan, Israel Bar Ilan Univ, Dept Chem, IL-52900 Ramat Gan, Israel

Marom, Rotem
论文数: 0 引用数: 0
h-index: 0
机构:
Bar Ilan Univ, Dept Chem, IL-52900 Ramat Gan, Israel Bar Ilan Univ, Dept Chem, IL-52900 Ramat Gan, Israel

Elazari, Ran
论文数: 0 引用数: 0
h-index: 0
机构:
Bar Ilan Univ, Dept Chem, IL-52900 Ramat Gan, Israel Bar Ilan Univ, Dept Chem, IL-52900 Ramat Gan, Israel

论文数: 引用数:
h-index:
机构:

Aurbach, Doron
论文数: 0 引用数: 0
h-index: 0
机构:
Bar Ilan Univ, Dept Chem, IL-52900 Ramat Gan, Israel Bar Ilan Univ, Dept Chem, IL-52900 Ramat Gan, Israel
[5]
First-Principles Study of the Atomic Structures and Catalytic Properties of Monolayer TaS2 with Intrinsic Defects
[J].
Gao, Nan
;
Liang, Xiaoqing
;
Zhao, Jijun
;
Chen, Yue
.
JOURNAL OF PHYSICAL CHEMISTRY C,
2021, 125 (19)
:10362-10369

Gao, Nan
论文数: 0 引用数: 0
h-index: 0
机构:
Taizhou Univ, Sch Elect & Informat Engn, Taizhou 318000, Peoples R China Taizhou Univ, Sch Elect & Informat Engn, Taizhou 318000, Peoples R China

Liang, Xiaoqing
论文数: 0 引用数: 0
h-index: 0
机构:
Taizhou Univ, Sch Elect & Informat Engn, Taizhou 318000, Peoples R China Taizhou Univ, Sch Elect & Informat Engn, Taizhou 318000, Peoples R China

Zhao, Jijun
论文数: 0 引用数: 0
h-index: 0
机构:
Dalian Univ Technol, Minist Educ, Key Lab Mat Modificat Laser Ion & Electron Beams, Dalian 116024, Peoples R China Taizhou Univ, Sch Elect & Informat Engn, Taizhou 318000, Peoples R China

Chen, Yue
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Hong Kong, Dept Mech Engn, Hong Kong 999077, Peoples R China Taizhou Univ, Sch Elect & Informat Engn, Taizhou 318000, Peoples R China
[6]
Challenges for Rechargeable Li Batteries
[J].
Goodenough, John B.
;
Kim, Youngsik
.
CHEMISTRY OF MATERIALS,
2010, 22 (03)
:587-603

Goodenough, John B.
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Texas Austin, Texas Mat Inst, Austin, TX 78712 USA Univ Texas Austin, Texas Mat Inst, Austin, TX 78712 USA

Kim, Youngsik
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Texas Austin, Texas Mat Inst, Austin, TX 78712 USA Univ Texas Austin, Texas Mat Inst, Austin, TX 78712 USA
[7]
Semiempirical GGA-type density functional constructed with a long-range dispersion correction
[J].
Grimme, Stefan
.
JOURNAL OF COMPUTATIONAL CHEMISTRY,
2006, 27 (15)
:1787-1799

Grimme, Stefan
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Munster, Inst Organ Chem, D-48149 Munster, Germany Univ Munster, Inst Organ Chem, D-48149 Munster, Germany
[8]
2D V-V Binary Materials: Status and Challenges
[J].
Guo, Shiying
;
Zhang, Yupeng
;
Ge, Yanqi
;
Zhang, Shengli
;
Zeng, Haibo
;
Zhang, Han
.
ADVANCED MATERIALS,
2019, 31 (39)

Guo, Shiying
论文数: 0 引用数: 0
h-index: 0
机构:
Nanjing Univ Sci & Technol, Coll Mat Sci & Engn, Key Lab Adv Display Mat & Devices, Nanjing 210094, Jiangsu, Peoples R China
Nanjing Univ Sci & Technol, Coll Mat Sci & Engn, Minist Ind & Informat Technol, Nanjing 210094, Jiangsu, Peoples R China Nanjing Univ Sci & Technol, Coll Mat Sci & Engn, Key Lab Adv Display Mat & Devices, Nanjing 210094, Jiangsu, Peoples R China

Zhang, Yupeng
论文数: 0 引用数: 0
h-index: 0
机构:
Shenzhen Univ, Minist Educ & Guangdong Prov, Collaborat Innovat Ctr Optoelect Sci & Technol, Inst Microscale Optoelect, Shenzhen 518060, Peoples R China
Shenzhen Univ, Minist Educ & Guangdong Prov, Key Lab Optoelect Devices & Syst, Shenzhen 518060, Peoples R China Nanjing Univ Sci & Technol, Coll Mat Sci & Engn, Key Lab Adv Display Mat & Devices, Nanjing 210094, Jiangsu, Peoples R China

Ge, Yanqi
论文数: 0 引用数: 0
h-index: 0
机构:
Shenzhen Univ, Minist Educ & Guangdong Prov, Collaborat Innovat Ctr Optoelect Sci & Technol, Inst Microscale Optoelect, Shenzhen 518060, Peoples R China
Shenzhen Univ, Minist Educ & Guangdong Prov, Key Lab Optoelect Devices & Syst, Shenzhen 518060, Peoples R China Nanjing Univ Sci & Technol, Coll Mat Sci & Engn, Key Lab Adv Display Mat & Devices, Nanjing 210094, Jiangsu, Peoples R China

Zhang, Shengli
论文数: 0 引用数: 0
h-index: 0
机构:
Nanjing Univ Sci & Technol, Coll Mat Sci & Engn, Key Lab Adv Display Mat & Devices, Nanjing 210094, Jiangsu, Peoples R China
Nanjing Univ Sci & Technol, Coll Mat Sci & Engn, Minist Ind & Informat Technol, Nanjing 210094, Jiangsu, Peoples R China Nanjing Univ Sci & Technol, Coll Mat Sci & Engn, Key Lab Adv Display Mat & Devices, Nanjing 210094, Jiangsu, Peoples R China

Zeng, Haibo
论文数: 0 引用数: 0
h-index: 0
机构:
Nanjing Univ Sci & Technol, Coll Mat Sci & Engn, Key Lab Adv Display Mat & Devices, Nanjing 210094, Jiangsu, Peoples R China
Nanjing Univ Sci & Technol, Coll Mat Sci & Engn, Minist Ind & Informat Technol, Nanjing 210094, Jiangsu, Peoples R China Nanjing Univ Sci & Technol, Coll Mat Sci & Engn, Key Lab Adv Display Mat & Devices, Nanjing 210094, Jiangsu, Peoples R China

Zhang, Han
论文数: 0 引用数: 0
h-index: 0
机构:
Shenzhen Univ, Minist Educ & Guangdong Prov, Collaborat Innovat Ctr Optoelect Sci & Technol, Inst Microscale Optoelect, Shenzhen 518060, Peoples R China
Shenzhen Univ, Minist Educ & Guangdong Prov, Key Lab Optoelect Devices & Syst, Shenzhen 518060, Peoples R China Nanjing Univ Sci & Technol, Coll Mat Sci & Engn, Key Lab Adv Display Mat & Devices, Nanjing 210094, Jiangsu, Peoples R China
[9]
Strain-engineered two-dimensional MoS2 as anode material for performance enhancement of Li/Na-ion batteries
[J].
Hao, Jiongyue
;
Zheng, Junfeng
;
Ling, Faling
;
Chen, Yankun
;
Jing, Huirong
;
Zhou, Tingwei
;
Fang, Liang
;
Zhou, Miao
.
SCIENTIFIC REPORTS,
2018, 8

Hao, Jiongyue
论文数: 0 引用数: 0
h-index: 0
机构:
Chongqing Univ, Coll Optoelet Engn, Minist Educ, Key Lab Optoelect Technol & Syst, Chongqing 400044, Peoples R China Chongqing Univ, Coll Optoelet Engn, Minist Educ, Key Lab Optoelect Technol & Syst, Chongqing 400044, Peoples R China

Zheng, Junfeng
论文数: 0 引用数: 0
h-index: 0
机构:
Chongqing Univ, Coll Optoelet Engn, Minist Educ, Key Lab Optoelect Technol & Syst, Chongqing 400044, Peoples R China Chongqing Univ, Coll Optoelet Engn, Minist Educ, Key Lab Optoelect Technol & Syst, Chongqing 400044, Peoples R China

Ling, Faling
论文数: 0 引用数: 0
h-index: 0
机构:
Chongqing Univ, Coll Optoelet Engn, Minist Educ, Key Lab Optoelect Technol & Syst, Chongqing 400044, Peoples R China Chongqing Univ, Coll Optoelet Engn, Minist Educ, Key Lab Optoelect Technol & Syst, Chongqing 400044, Peoples R China

Chen, Yankun
论文数: 0 引用数: 0
h-index: 0
机构:
Chongqing Univ, Coll Optoelet Engn, Minist Educ, Key Lab Optoelect Technol & Syst, Chongqing 400044, Peoples R China Chongqing Univ, Coll Optoelet Engn, Minist Educ, Key Lab Optoelect Technol & Syst, Chongqing 400044, Peoples R China

Jing, Huirong
论文数: 0 引用数: 0
h-index: 0
机构:
Chongqing Univ, Coll Optoelet Engn, Minist Educ, Key Lab Optoelect Technol & Syst, Chongqing 400044, Peoples R China Chongqing Univ, Coll Optoelet Engn, Minist Educ, Key Lab Optoelect Technol & Syst, Chongqing 400044, Peoples R China

Zhou, Tingwei
论文数: 0 引用数: 0
h-index: 0
机构:
Chongqing Univ, Coll Optoelet Engn, Minist Educ, Key Lab Optoelect Technol & Syst, Chongqing 400044, Peoples R China Chongqing Univ, Coll Optoelet Engn, Minist Educ, Key Lab Optoelect Technol & Syst, Chongqing 400044, Peoples R China

Fang, Liang
论文数: 0 引用数: 0
h-index: 0
机构:
Chongqing Univ, Coll Phys, Dept Appl Phys, Chongqing 401331, Peoples R China Chongqing Univ, Coll Optoelet Engn, Minist Educ, Key Lab Optoelect Technol & Syst, Chongqing 400044, Peoples R China

Zhou, Miao
论文数: 0 引用数: 0
h-index: 0
机构:
Chongqing Univ, Coll Optoelet Engn, Minist Educ, Key Lab Optoelect Technol & Syst, Chongqing 400044, Peoples R China Chongqing Univ, Coll Optoelet Engn, Minist Educ, Key Lab Optoelect Technol & Syst, Chongqing 400044, Peoples R China
[10]
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
[J].
Henkelman, G
;
Uberuaga, BP
;
Jónsson, H
.
JOURNAL OF CHEMICAL PHYSICS,
2000, 113 (22)
:9901-9904

Henkelman, G
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Washington, Dept Chem 351700, Seattle, WA 98195 USA Univ Washington, Dept Chem 351700, Seattle, WA 98195 USA

Uberuaga, BP
论文数: 0 引用数: 0
h-index: 0
机构: Univ Washington, Dept Chem 351700, Seattle, WA 98195 USA

Jónsson, H
论文数: 0 引用数: 0
h-index: 0
机构: Univ Washington, Dept Chem 351700, Seattle, WA 98195 USA