Phase pure and well crystalline Cr2AlB2: A key precursor for two-dimensional CrB

doi:10.1016/j.jmst.2019.03.031

Abstract

Abstract:

Phase pure and well crystalline Cr₂AlB₂ powders are synthesized by heating the mixtures of CrB and Al powders at 900 °C. Cr₂AlB₂ exhibits nanolaminated morphology which transforms from flake-like crystallite to needle-like grain with the increase of holding time. The morphology-structure relationships of Cr₂AlB₂ are delicately discussed. Meanwhile, as the precursor for fabrication of Cr₂AlB₂, high purity CrB powders are also prepared by high-temperature reaction of B and Cr elemental powders at 1800 °C. CrB grains grow into regular plate-like morphology. Through Rietveld structure refinement, new sets of diffraction data are presented for both CrB and Cr₂AlB₂ and overlapped peak positions and intensities are revealed which make up for the deficiency of the existing data in ICDD PDF ^#32-0277 (CrB) and ICDD PDF ^#72-1847 (Cr₂AlB₂). Moreover, since MAB phases are precursors for preparing MBenes, 2D-CrB nanosheets are successfully prepared by completely etching out Al atomic layers from Cr₂AlB₂. 2D-CrB crystalizes in CrB structure with two-dimensional lamellar morphology. Simultaneously the formation mechanism of 2D-CrB is vividly depicted. A system of materials preparation from CrB to Cr₂AlB₂ and then to 2D-CrB is well established.

Key words: Cr₂AlB₂, CrB, MAB phases, 2D-CrB, Ultrahigh temperature ceramics

Haiming Zhang, Fu-Zhi Dai, Huimin Xiang, Xiaohui Wang, Zhili Zhang, Yanchun Zhou. Phase pure and well crystalline Cr₂AlB₂: A key precursor for two-dimensional CrB[J]. J. Mater. Sci. Technol., 2019, 35(8): 1593-1600.

Figures/Tables 16

References

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Formula	CrB
Crystal system	Orthorhombic
Space group	Cmcm (63)
Formula units	4
Cell volume (Å³)	68.380
Crystal density (g/cm³)	6.101
Structure parameters	Rietveld refinement	Reported [45]
Lattice constants (Å)	a = 2.9681(3)	a = 2.9782(7)
	b = 7.8629 (1)	b = 7.870 (1)
	c = 2.9299(7)	c = 2.9346(7)
Atomic positions	Cr 4c (0, 0.14450(7), 0.25)	Cr 4c (0, 0.14525(3), 0.25)
	B 4c (0, 0.43096(8), 0.25)	B 4c (0, 0.4360(2), 0.25)

Formula	CrB
Crystal system	Orthorhombic
Space group	Cmcm (63)
Formula units	4
Cell volume (Å³)	68.380
Crystal density (g/cm³)	6.101
Structure parameters	Rietveld refinement	Reported [45]
Lattice constants (Å)	a = 2.9681(3)	a = 2.9782(7)
	b = 7.8629 (1)	b = 7.870 (1)
	c = 2.9299(7)	c = 2.9346(7)
Atomic positions	Cr 4c (0, 0.14450(7), 0.25)	Cr 4c (0, 0.14525(3), 0.25)
	B 4c (0, 0.43096(8), 0.25)	B 4c (0, 0.4360(2), 0.25)

Reflections (hkl)	m	2θ_Cal. (°)	2θ_Exp. (°)	d_Cal. (Å)	d_Exp. (Å)	I/I_0Cal. (%)	I/I_0Exp. (%)
0 2 0	2	22.598	22.642	3.9315	3.9239	4.1	7.3
1 1 0	4	32.210	32.242	2.7769	2.7740	42.9	54.5
0 2 1	4	38.281	38.328	2.3493	2.3465	85.0	67.1
1 1 1	8	44.939	44.977	2.0155	2.0138	100.0	100.0
0 4 0	2	46.141	46.188	1.9657	1.9638	26.3	42.0
1 3 0	4	46.168	46.205	1.9646	1.9631	57.9	71.4
0 4 1	4	56.313	56.352	1.6324	1.6313	11.9	11.8
1 3 1	8	56.337	56.378	1.6318	1.6306	18.7	19.5
2 0 0	2	62.537	62.573	1.4841	1.4832	14.8	17.9
0 0 2	2	63.445	63.484	1.4650	1.4641	14.1	16.9
1 5 0	4	67.330	-	1.3896	-	0.2	-
2 2 0	4	67.393	-	1.3884	-	0.4	-
0 2 2	4	68.267	-	1.3728	-	0.4	-
0 6 0	2	72.002	72.059	1.3105	1.3096	2.2	3.7
1 1 2	8	72.953	72.985	1.2957	1.2952	6.6	7.0
1 5 1	8	75.689	75.729	1.2555	1.2550	18.6	20.6
2 2 1	8	75.749	75.812	1.2547	1.2544	18.2	19.5

Reflections (hkl)	m	2θ_Cal. (°)	2θ_Exp. (°)	d_Cal. (Å)	d_Exp. (Å)	I/I_0Cal. (%)	I/I_0Exp. (%)
0 2 0	2	22.598	22.642	3.9315	3.9239	4.1	7.3
1 1 0	4	32.210	32.242	2.7769	2.7740	42.9	54.5
0 2 1	4	38.281	38.328	2.3493	2.3465	85.0	67.1
1 1 1	8	44.939	44.977	2.0155	2.0138	100.0	100.0
0 4 0	2	46.141	46.188	1.9657	1.9638	26.3	42.0
1 3 0	4	46.168	46.205	1.9646	1.9631	57.9	71.4
0 4 1	4	56.313	56.352	1.6324	1.6313	11.9	11.8
1 3 1	8	56.337	56.378	1.6318	1.6306	18.7	19.5
2 0 0	2	62.537	62.573	1.4841	1.4832	14.8	17.9
0 0 2	2	63.445	63.484	1.4650	1.4641	14.1	16.9
1 5 0	4	67.330	-	1.3896	-	0.2	-
2 2 0	4	67.393	-	1.3884	-	0.4	-
0 2 2	4	68.267	-	1.3728	-	0.4	-
0 6 0	2	72.002	72.059	1.3105	1.3096	2.2	3.7
1 1 2	8	72.953	72.985	1.2957	1.2952	6.6	7.0
1 5 1	8	75.689	75.729	1.2555	1.2550	18.6	20.6
2 2 1	8	75.749	75.812	1.2547	1.2544	18.2	19.5

Formula	Cr₂AlB₂
Crystal system	Orthorhombic
Space group	Cmmm (65)
Formula units	2
Cell volume (Å³)	96.512
Crystal density (g/cm³)	5.251
Structure parameters	Rietveld refinement	Reported [18]
Lattice constants (Å)	a = 2.9392(5)	a = 2.9373(3)
	b = 11.0551 (1)	b = 11.0513(12)
	c = 2.9701(6)	c = 2.9675(3)
Atomic positions	Cr 4i (0, 0.14663(7), 0)	Cr 4i (0, 0.14686(1), 0)
	Al 2c (0, 0.5, 0.5)	Al 2c (0, 0.5, 0.5)
	B 4 j (0, 0.29403(6), 0.5)	B 4 j (0, 0.29401(8), 0.5)

Phase pure and well crystalline Cr₂AlB₂: A key precursor for two-dimensional CrB

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Reflections (hkl)	m	2θ_Cal. (°)	2θ_Exp. (°)	d_Cal. (Å)	d_Exp. (Å)	I/I_0Cal. (%)	I/I_0Exp. (%)
0 2 0	2	16.021	16.024	5.5275	5.5265	13.1	16.3
0 0 1	2	30.062	30.069	2.9702	2.9695	32.3	28.6
1 1 0	4	31.469	31.481	2.8406	2.8394	15.9	15.1
0 4 0	2	32.367	32.374	2.7638	2.7631	21.7	22.1
0 2 1	4	34.245	34.260	2.6164	2.6152	19.6	18.9
1 3 0	4	39.173	39.188	2.2978	2.2969	100.0	100.0
1 1 1	8	44.077	44.087	2.0529	2.0524	96.4	95.9
0 4 1	4	44.755	44.769	2.0233	2.0227	78.4	86.2
0 6 0	2	49.425	49.441	1.8425	1.8419	20.6	20.7
1 3 1	8	50.154	50.168	1.8174	1.8169	46.6	44.0
1 5 0	4	51.692	51.701	1.7669	1.7666	8.8	9.3
0 6 1	4	58.941	58.940	1.5657	1.5657	4.6	4.7
1 5 1	8	60.964	60.989	1.5185	1.5179	3.5	4.1
0 0 2	2	62.489	62.492	1.4851	1.4850	18.3	18.4
2 0 0	2	63.222	63.226	1.4696	1.4695	17.6	19.4
0 2 2	4	64.971	-	1.4342	-	0.2	-
2 2 0	4	65.688	-	1.4203	-	0.2	-
1 7 0	4	67.242	67.243	1.3912	1.3911	10.2	11.0
0 8 0	2	67.756	67.764	1.3819	1.3817	3.0	4.6
2 0 1	4	71.577	71.582	1.3172	1.3171	4.1	5.5
1 1 2	8	71.649	71.653	1.3161	1.3160	2.0	1.6
0 4 2	4	72.148	72.154	1.3082	1.3081	3.1	3.7
2 4 0	4	72.832	72.857	1.2976	1.2972	3.0	3.2
2 2 1	8	73.908	73.897	1.2813	1.2815	3.9	3.6
1 7 1	8	75.385	75.389	1.2599	1.2598	25.6	29.5
0 8 1	4	75.875	-	1.2529	-	0.7	-
1 3 2	8	76.281	76.282	1.2473	1.2472	23.4	25.5

Chemical compositions	Cr (at.%)	Al (at.%)	B (at.%)
2D-CrB	44.47	1.21	54.31
	49.59	0.95	49.46
	48.22	0.90	50.88
	42.71	2.19	55.11
	57.55	2.36	40.09
	48.42	1.67	48.91
	47.79	0.42	51.80
	48.31	1.55	50.14
	45.33	1.75	52.91
	54.43	0	45.57
	47.46	0.60	51.94
	56.33	0.47	43.19
	56.56	0.80	42.64
	58.94	0.68	40.38

Reflections	Experimental CrB particles		Experimental 2D-CrB nanocrystals		Difference
(hkl)	2θ_CrB (°)	d_CrB (Å)	2θ_2D-CrB (°)	d_2D-CrB (Å)	2θ_2D-CrB - 2θ_CrB	d_2D-CrB - d_CrB
020	22.642	3.9259	22.691	3.9175	0.049	-0.0084
110	32.242	2.7755	32.290	2.772	0.048	-0.004
021	38.328	2.3476	38.359	2.3458	0.031	-0.0018
111	44.977	2.0148	45.002	2.0137	0.025	-0.0011

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