Nitrogen in black phosphorus structure
Abstract
Group V elements in crystal structure isostructural to black phosphorus with unique puckered two-dimensional layers exhibit exciting physical and chemical phenomena. However, as the first element of group V, nitrogen has never been found in the black phosphorus structure. Here, we report the synthesis of the black phosphorus–structured nitrogen at 146 GPa and 2200 K. Metastable black phosphorus–structured nitrogen was retained after quenching it to room temperature under compression and characterized in situ during decompression to 48 GPa, using synchrotron x-ray diffraction and Raman spectroscopy. We show that the original molecular nitrogen is transformed into extended single-bonded structure through gauche and trans conformations. Raman spectroscopy shows that black phosphorus–structured nitrogen is strongly anisotropic and exhibits high Raman intensities in two Ag normal modes. Synthesis of black phosphorus–structured nitrogen provides a firm base for exploring new type of high-energy-density nitrogen and a new direction of two-dimensional nitrogen.
- Authors:
-
- Center for High Pressure Science and Technology Advanced Research, Beijing (China); Carnegie Inst. of Science, Argonne, IL (United States). High Pressure Collaborative Access Team (HPCAT)
- Univ. of Saskatchewan, Saskatoon, SK (Canada)
- Center for High Pressure Science and Technology Advanced Research, Beijing (China)
- Carnegie Inst. of Science, Argonne, IL (United States). High Pressure Collaborative Access Team (HPCAT)
- Univ. of Chicago, IL (United States). Center for Advanced Radiation Sources (CARS)
- Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
- Stanford Univ., CA (United States). Geological Sciences
- Publication Date:
- Research Org.:
- Argonne National Lab. (ANL), Argonne, IL (United States)
- Sponsoring Org.:
- USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities Division; National Natural Science Foundation of China (NSFC); Natural Sciences and Engineering Research Council of Canada (NSERC); National Science Foundation (NSF); Consortium for Materials Properties Research in Earth Sciences (COMPRES)
- OSTI Identifier:
- 1657245
- Grant/Contract Number:
- AC02-06CH11357; U1930401; EAR-1634415; FG02-94ER14466; EAR-1606856
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Science Advances
- Additional Journal Information:
- Journal Volume: 6; Journal Issue: 23; Journal ID: ISSN 2375-2548
- Publisher:
- AAAS
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 58 GEOSCIENCES
Citation Formats
Ji, Cheng, Adeleke, Adebayo A., Yang, Liuxiang, Wan, Biao, Gou, Huiyang, Yao, Yansun, Li, Bing, Meng, Yue, Smith, Jesse S., Prakapenka, Vitali B., Liu, Wenjun, Shen, Guoyin, Mao, Wendy L., and Mao, Ho-Kwang. Nitrogen in black phosphorus structure. United States: N. p., 2020.
Web. doi:10.1126/sciadv.aba9206.
Ji, Cheng, Adeleke, Adebayo A., Yang, Liuxiang, Wan, Biao, Gou, Huiyang, Yao, Yansun, Li, Bing, Meng, Yue, Smith, Jesse S., Prakapenka, Vitali B., Liu, Wenjun, Shen, Guoyin, Mao, Wendy L., & Mao, Ho-Kwang. Nitrogen in black phosphorus structure. United States. https://doi.org/10.1126/sciadv.aba9206
Ji, Cheng, Adeleke, Adebayo A., Yang, Liuxiang, Wan, Biao, Gou, Huiyang, Yao, Yansun, Li, Bing, Meng, Yue, Smith, Jesse S., Prakapenka, Vitali B., Liu, Wenjun, Shen, Guoyin, Mao, Wendy L., and Mao, Ho-Kwang. Wed .
"Nitrogen in black phosphorus structure". United States. https://doi.org/10.1126/sciadv.aba9206. https://www.osti.gov/servlets/purl/1657245.
@article{osti_1657245,
title = {Nitrogen in black phosphorus structure},
author = {Ji, Cheng and Adeleke, Adebayo A. and Yang, Liuxiang and Wan, Biao and Gou, Huiyang and Yao, Yansun and Li, Bing and Meng, Yue and Smith, Jesse S. and Prakapenka, Vitali B. and Liu, Wenjun and Shen, Guoyin and Mao, Wendy L. and Mao, Ho-Kwang},
abstractNote = {Group V elements in crystal structure isostructural to black phosphorus with unique puckered two-dimensional layers exhibit exciting physical and chemical phenomena. However, as the first element of group V, nitrogen has never been found in the black phosphorus structure. Here, we report the synthesis of the black phosphorus–structured nitrogen at 146 GPa and 2200 K. Metastable black phosphorus–structured nitrogen was retained after quenching it to room temperature under compression and characterized in situ during decompression to 48 GPa, using synchrotron x-ray diffraction and Raman spectroscopy. We show that the original molecular nitrogen is transformed into extended single-bonded structure through gauche and trans conformations. Raman spectroscopy shows that black phosphorus–structured nitrogen is strongly anisotropic and exhibits high Raman intensities in two Ag normal modes. Synthesis of black phosphorus–structured nitrogen provides a firm base for exploring new type of high-energy-density nitrogen and a new direction of two-dimensional nitrogen.},
doi = {10.1126/sciadv.aba9206},
journal = {Science Advances},
number = 23,
volume = 6,
place = {United States},
year = {Wed Jun 03 00:00:00 EDT 2020},
month = {Wed Jun 03 00:00:00 EDT 2020}
}
Web of Science
Works referenced in this record:
Optical Evidence for a Nonmolecular Phase of Nitrogen above 150 GPa
journal, August 2000
- Goncharov, Alexander F.; Gregoryanz, Eugene; Mao, Ho-kwang
- Physical Review Letters, Vol. 85, Issue 6
Generalized Gradient Approximation Made Simple
journal, October 1996
- Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
- Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
Hexagonal Layered Polymeric Nitrogen Phase Synthesized near 250 GPa
journal, February 2019
- Laniel, D.; Geneste, G.; Weck, G.
- Physical Review Letters, Vol. 122, Issue 6
Multimode scanning X-ray diffraction microscopy for diamond anvil cell experiments
journal, February 2019
- Hrubiak, Rostislav; Smith, Jesse S.; Shen, Guoyin
- Review of Scientific Instruments, Vol. 90, Issue 2
Unusually complex phase of dense nitrogen at extreme conditions
journal, November 2018
- Turnbull, Robin; Hanfland, Michael; Binns, Jack
- Nature Communications, Vol. 9, Issue 1
Hybrid functionals based on a screened Coulomb potential
journal, May 2003
- Heyd, Jochen; Scuseria, Gustavo E.; Ernzerhof, Matthias
- The Journal of Chemical Physics, Vol. 118, Issue 18
EXPGUI , a graphical user interface for GSAS
journal, April 2001
- Toby, Brian H.
- Journal of Applied Crystallography, Vol. 34, Issue 2
LOBSTER: A tool to extract chemical bonding from plane-wave based DFT: Tool to Extract Chemical Bonding
journal, February 2016
- Maintz, Stefan; Deringer, Volker L.; Tchougréeff, Andrei L.
- Journal of Computational Chemistry, Vol. 37, Issue 11
Development of High-Pressure Multigrain X-Ray Diffraction for Exploring the Earth’s Interior
journal, June 2019
- Zhang, Li; Yuan, Hongsheng; Meng, Yue
- Engineering, Vol. 5, Issue 3
Anharmonicity and the equation of state for gold
journal, February 1989
- Anderson, Orson L.; Isaak, Donald G.; Yamamoto, Shigeru
- Journal of Applied Physics, Vol. 65, Issue 4
High P-T transformations of nitrogen to 170GPa
journal, May 2007
- Gregoryanz, Eugene; Goncharov, Alexander F.; Sanloup, Chrystele
- The Journal of Chemical Physics, Vol. 126, Issue 18
Cubic gauche polymeric nitrogen under ambient conditions
journal, October 2017
- Benchafia, El Mostafa; Yao, Zhenhua; Yuan, Gu
- Nature Communications, Vol. 8, Issue 1
From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999
- Kresse, G.; Joubert, D.
- Physical Review B, Vol. 59, Issue 3, p. 1758-1775
High-Pressure Phases of Nitrogen
journal, March 2009
- Pickard, Chris J.; Needs, R. J.
- Physical Review Letters, Vol. 102, Issue 12
Single-bonded cubic form of nitrogen
journal, July 2004
- Eremets, Mikhail I.; Gavriliuk, Alexander G.; Trojan, Ivan A.
- Nature Materials, Vol. 3, Issue 8
High-pressure amorphous nitrogen
journal, July 2001
- Gregoryanz, Eugene; Goncharov, Alexander F.; Hemley, Russell J.
- Physical Review B, Vol. 64, Issue 5
Black phosphorus and its isoelectronic materials
journal, April 2019
- Xia, Fengnian; Wang, Han; Hwang, James C. M.
- Nature Reviews Physics, Vol. 1, Issue 5
Advanced integrated optical spectroscopy system for diamond anvil cell studies at GSECARS
journal, July 2019
- Holtgrewe, Nicholas; Greenberg, Eran; Prescher, Clemens
- High Pressure Research, Vol. 39, Issue 3
2D Monoelemental Arsenene, Antimonene, and Bismuthene: Beyond Black Phosphorus
journal, February 2017
- Pumera, Martin; Sofer, Zdeněk
- Advanced Materials, Vol. 29, Issue 21
An X-ray diffraction study of lattice compression and phase transition of crystalline phosphorus
journal, April 1983
- Kikegawa, T.; Iwasaki, H.
- Acta Crystallographica Section B Structural Science, Vol. 39, Issue 2
Phosphorene: from theory to applications
journal, August 2016
- Carvalho, Alexandra; Wang, Min; Zhu, Xi
- Nature Reviews Materials, Vol. 1, Issue 11
DIOPTAS : a program for reduction of two-dimensional X-ray diffraction data and data exploration
journal, May 2015
- Prescher, Clemens; Prakapenka, Vitali B.
- High Pressure Research, Vol. 35, Issue 3
EosFit7-GUI : a new graphical user interface for equation of state calculations, analyses and teaching
journal, June 2016
- Gonzalez-Platas, Javier; Alvaro, Matteo; Nestola, Fabrizio
- Journal of Applied Crystallography, Vol. 49, Issue 4
Ab initiomolecular dynamics for liquid metals
journal, January 1993
- Kresse, G.; Hafner, J.
- Physical Review B, Vol. 47, Issue 1, p. 558-561
Layered single-bonded nonmolecular phase of nitrogen from first-principles simulation
journal, December 2005
- Zahariev, F.; Hu, A.; Hooper, J.
- Physical Review B, Vol. 72, Issue 21
Melting Curve and Liquid Structure of Nitrogen Probed by X-ray Diffraction to 120 GPa
journal, December 2017
- Weck, Gunnar; Datchi, Frédéric; Garbarino, Gaston
- Physical Review Letters, Vol. 119, Issue 23
One-dimensional topological edge states of bismuth bilayers
journal, August 2014
- Drozdov, Ilya K.; Alexandradinata, A.; Jeon, Sangjun
- Nature Physics, Vol. 10, Issue 9
Pressure calibration of diamond anvil Raman gauge to 410 GPa
journal, March 2010
- Akahama, Yuichi; Kawamura, Haruki
- Journal of Physics: Conference Series, Vol. 215
The renaissance of black phosphorus
journal, March 2015
- Ling, Xi; Wang, Han; Huang, Shengxi
- Proceedings of the National Academy of Sciences, Vol. 112, Issue 15
Crystal structure prediction using ab initio evolutionary techniques: Principles and applications
journal, June 2006
- Oganov, Artem R.; Glass, Colin W.
- The Journal of Chemical Physics, Vol. 124, Issue 24
Single-bonded allotrope of nitrogen predicted at high pressure
journal, December 2017
- Adeleke, Adebayo A.; Greschner, Michael J.; Majumdar, Arnab
- Physical Review B, Vol. 96, Issue 22
Novel High Pressure Structures of Polymeric Nitrogen
journal, February 2009
- Ma, Yanming; Oganov, Artem R.; Li, Zhenwei
- Physical Review Letters, Vol. 102, Issue 6
Fityk : a general-purpose peak fitting program
journal, September 2010
- Wojdyr, Marcin
- Journal of Applied Crystallography, Vol. 43, Issue 5
Semiconducting non-molecular nitrogen up to 240 GPa and its low-pressure stability
journal, May 2001
- Eremets, Mikhail I.; Hemley, Russell J.; Mao, Ho-kwang
- Nature, Vol. 411, Issue 6834
Advanced capabilities for materials modelling with Quantum ESPRESSO
journal, October 2017
- Giannozzi, P.; Andreussi, O.; Brumme, T.
- Journal of Physics: Condensed Matter, Vol. 29, Issue 46