Promising prospects for 2D d2-d4 M3C2 transition metal carbides (MXenes) in N2 capture and conversion into ammonia

被引：545

作者：

Azofra, Luis Miguel ^{[1
]}

Li, Neng ^{[2
]}

MacFarlane, Douglas R. ^{[1
]}

Sun, Chenghua ^{[1
]}

机构：

[1] Monash Univ, Sch Chem, ARC Ctr Excellence Elect Sci ACES, Fac Sci, Clayton, Vic 3800, Australia

[2] Wuhan Univ Technol, State Key Lab Silicate Mat Architectures, Wuhan 430070, Hubei, Peoples R China

来源：

ENERGY & ENVIRONMENTAL SCIENCE | 2016年 / 9卷 / 08期

基金：

中国国家自然科学基金; 澳大利亚研究理事会;

关键词：

2-DIMENSIONAL TITANIUM CARBIDE; REDUCTION; NITROGEN; NANOSHEETS; CAPACITY; CATALYST; FE-N-2; LI;

D O I：

10.1039/c6ee01800a

中图分类号：

O6 [化学];

学科分类号：

070301 [无机化学];

摘要：

Density functional theory investigations of M3C2 transition metal carbides from the d(2), d(3), and d(4) series suggest promising N-2 capture behaviour, displaying spontaneous chemisorption energies that are larger than those for the capture of CO2 and H2O in d(3) and d(4) MXenes. The chemisorbed N-2 becomes activated, promoting its catalytic conversion into NH3. The first proton-electron transfer is found to be the rate-determining step for the whole process, with an activation barrier of only 0.64 eV vs. SHE for V3C2.

引用

收藏

页码：2545 / 2549

页数：5

相关论文

共 33 条

[1]

Two-Dimensional, Ordered, Double Transition Metals Carbides (MXenes) [J].

Anasori, Babak ;

Xie, Yu ;

Beidaghi, Majid ;

Lu, Jun ;

Hosler, Brian C. ;

Hultman, Lars ;

Kent, Paul R. C. ;

Gogotsi, Yury ;

Barsoum, Michel W. .

ACS NANO, 2015, 9 (10) :9507-9516

[2]

Catalytic conversion of nitrogen to ammonia by an iron model complex [J].

Anderson, John S. ;

Rittle, Jonathan ;

Peters, Jonas C. .

NATURE, 2013, 501 (7465) :84-+

[3]

Conversion of Fe-NH2 to Fe-N2 with release of NH3 [J].

Anderson, John S. ;

Moret, Marc-Etienne ;

Peters, Jonas C. .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2013, 135 (02) :534-537

[4]

Appl M., 2002, AMMONIA ULLMANNS ENC

[5]

Photochemical Nitrogen Conversion to Ammonia in Ambient Conditions with FeMoS-Chalcogels [J].

Banerjee, Abhishek ;

Yuhas, Benjamin D. ;

Margulies, Eric A. ;

Zhang, Yongbo ;

Shim, Yurina ;

Wasielewski, Michael R. ;

Kanatzidis, Mercouri G. .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2015, 137 (05) :2030-2034

[6]

Bonding and spectroscopic properties of complexes of SO2-O2 and SO2-N2 and its atmospheric consequences [J].

Begum, Samiyara ;

Subramanian, Ranga .

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2014, 16 (33) :17658-17669

[7]

Bernhard A., 2010, Nature Education Knowledge

[8]

Highly active and durable nanostructured molybdenum carbide electrocatalysts for hydrogen production [J].

Chen, W. -F. ;

Wang, C. -H. ;

Sasaki, K. ;

Marinkovic, N. ;

Xu, W. ;

Muckerman, J. T. ;

Zhu, Y. ;

Adzic, R. R. .

ENERGY & ENVIRONMENTAL SCIENCE, 2013, 6 (03) :943-951

[9]

Catalytic Reduction of N2 to NH3 by an Fe-N2 Complex Featuring a C-Atom Anchor [J].

Creutz, Sidney E. ;

Peters, Jonas C. .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2014, 136 (03) :1105-1115

[10]

The synthesis of ammonia over a ruthenium single crystal [J].

Dahl, S ;

Taylor, PA ;

Tornqvist, E ;

Chorkendorff, I .

JOURNAL OF CATALYSIS, 1998, 178 (02) :679-686

← 1 2 3 4 →