Crystal Structural Investigations for Understanding the Hydrogen Storage Properties of YMgNi(4)-Based Alloys.
Crystal Structural Investigations for Understanding the Hydrogen Storage Properties of YMgNi(4)-Based Alloys.
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DOI：
10.1021/acsomega.0c04535
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发表时间：
2020-12-08
期刊：
影响因子：
4.1
通讯作者：
Orimo SI
中科院分区：
文献类型：
--
作者：
Sato T;Mochizuki T;Ikeda K;Honda T;Otomo T;Sagayama H;Yang H;Luo W;Lombardo L;Züttel A;Takagi S;Kono T;Orimo SI
采用压力-成分-温度测量和氘气压力下的粉末中子衍射研究了由（2 - x）YNi 2和xMgNi 2（0.6 ≤ x ≤ 1.2）合成的YMgNi 4基合金的储氢性能和晶体结构，从氢原子周围原子排列的角度了解吸放氢反应.已经观察到，减少在YMgNi 4基合金中用作Mg源的MgNi 2的量降低了氢吸收和解吸压力并增加了储氢容量。然而，可逆氢容量在x = 0.8时达到1.2质量%的最大值，这是因为形成了在x = 0.6时不释放氢的热稳定氢化物。在x = 0.6的情况下，在吸氢相中H原子周围存在过量的Y原子将导致形成Y和H之间由于它们之间的亲和力而具有更强相互作用的氢化物。此外，在<5 MPa和323 K下，在吸氘相（Y0.81Mg1.19Ni4.00D3.35和Y1.06Mg0.94Ni4.00D3.86）中存在少量的具有短原子间D-D距离（1.6和1.9 μ m）的D原子。具有短D-D原子间距离的D原子位于氘吸收相中D原子的相同局部原子排列中，该氘吸收相在较高压力范围内形成，并且具有比本研究中的氘吸收相更高的储氢容量。
The hydrogen storage properties and crystal structures of YMgNi4-based alloys, which were synthesized from (2 – x)YNi2 and xMgNi2 (0.6 ≤ x ≤ 1.2), were investigated by pressure–composition–temperature measurements and powder neutron diffraction at a deuterium gas pressure to understand the hydrogen absorption and desorption reactions viewed from atomic arrangements around H atoms. Reducing the amounts of MgNi2, which was utilized as a Mg source in YMgNi4-based alloys, has been observed to lower the hydrogen absorption and desorption pressures and increase the hydrogen storage capacities. However, the reversible hydrogen capacity attained a maximum value of 1.2 mass % at x = 0.8 because of the formation of a thermodynamically stable hydride in which hydrogen was not released at x = 0.6. In the case of x = 0.6, the presence of excessive Y atoms around the H atoms in the hydrogen-absorbed phase would lead to the formation of a hydride with stronger interaction between Y and H because of the affinity between them. Moreover, the presence of small amounts of D atoms with short interatomic D–D distances (1.6 and 1.9 Å) in the deuterium-absorbed phase (Y0.81Mg1.19Ni4.00D3.35 and Y1.06Mg0.94Ni4.00D3.86) at <5 MPa and 323 K was proposed by the crystal structural investigations. The D atoms with short D–D interatomic distances were located in the same local atomic arrangements of D atoms in a deuterium-absorbed phase, which were formed at a higher-pressure range, and had higher hydrogen storage capacities than the deuterium-absorbed phases in this study.
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影响因子：
6.2
作者：
Kadir, K;Noréus, D;Yamashita, I
通讯作者：
Yamashita, I
DOI：
10.1016/0022-5088(81)90093-x
发表时间：
1981-01-01
期刊：
JOURNAL OF THE LESS-COMMON METALS
影响因子：
--
作者：
MURRAY, JJ;POST, ML;TAYLOR, JB
通讯作者：
TAYLOR, JB
DOI：
10.1073/pnas.1912900117
发表时间：
2020-02-25
影响因子：
11.1
作者：
Borgschulte, Andreas;Terreni, Jasmin;Ramirez-Cuesta, Anibal J.
通讯作者：
Ramirez-Cuesta, Anibal J.
影响因子：
6.2
作者：
AOKI, K;MASUMOTO, T
通讯作者：
MASUMOTO, T
影响因子：
6.1
作者：
THOMPSON, P;COX, DE;HASTINGS, JB
通讯作者：
HASTINGS, JB