Chalcopyrite (CuFeS2) | 1308-56-1

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 过渡金属有机体
• 英文名称: Chalcopyrite (CuFeS2)
• 英文别名: copper;iron;sulfane
• CAS: 1308-56-1
• 化学式: Cu₀Fe₀S
• 分子量: 88.1055
• InChiKey: BUGICWZUDIWQRQ-UHFFFAOYSA-N

物化性质

• 熔点：
  950°C
• 密度：
  4.1-4.3
• 溶解度：
  溶于王水和硝酸；不溶于盐酸

计算性质

• 辛醇/水分配系数(LogP)：
  0.11
• 重原子数：
  3
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  1
• 氢给体数：
  1
• 氢受体数：
  1

制备方法与用途

用途：用于生产电解铜。

反应信息

• 作为反应物：
  描述：

  Chalcopyrite (CuFeS2) 生成 copper(II) sulfide 、 iron sulfide 、 sulfur
  参考文献：
  名称：

  Vershinin; Selivanov; Danilushkin, Inorganic Materials, 1998, vol. 34, # 12, p. 1198 - 1202

  摘要：

  DOI：
• 作为产物：
  描述：

  copper iron disulfide 以 solid 为溶剂， 生成 Chalcopyrite (CuFeS2)
  参考文献：
  名称：

  Thermal characterization of changes in structure and properties of chalcopyrite after mechanical activation

  摘要：

  DOI：

  10.1016/0040-6031(90)80547-c
• 作为试剂：
  描述：

  水 在 Chalcopyrite (CuFeS2) 、 potassium hydroxide 作用下， 生成 氢气
  参考文献：
  名称：

  FeCuS纳米花的亚层硫空位诱导电荷再分布唤醒碱性析氢

  摘要：

  推动可持续和绿色能源技术的进步需要改进析氢反应（HER）的有效电催化剂。通过杂原子掺杂引起的空位重新配置电荷分布是实现 HER 催化剂高性能的有效方法。在这里，我们成功地制备了具有亚层硫空位的铁掺杂 CuS (FeCuS)，以判断其 HER 性能并剖析其活性起源。密度泛函理论计算进一步阐明，导致HER活性增强的主要因素是亚层硫空位唤醒电荷重新分布。除了有效降低与 Volmer 步骤相关的能垒之外，它还能调节 H* 的吸附/解吸能力。因此，其 HER 的内在活性显着增加。具体而言，所获得的FeCuS表现出优异的催化性能，其塔菲尔斜率仅为59 mV dec –1 ，在碱性环境下过电势（10 mA cm –2 ）低至71 mV，超过了大多数先前文献报道的催化剂在科学文献中。这项工作表明，通过Fe掺杂构建亚层硫空位可以实现电荷重新分布和电子结构的精确调控；因此，惰性CuS可以转化为高效的电催化剂。

  DOI：

  10.1021/acs.inorgchem.4c00915

文献信息

• Facile photocatalytic reduction of carcinogenic Cr(<scp>vi</scp>) on Fe-doped copper sulfide nanostructures
  作者：Noor ul Ain、Zia ur Rehman、Ujala Nayab、Jamal Abdul Nasir、Asma Aamir

  DOI：10.1039/d0ra04852f

  日期：——

  were investigated for the solar-assisted reduction of CrVI ions in raw water. The Fe-doped NPs were synthesized by decomposing copper(II) N,N-diphenylmethylpiperazinecarbamodithioate via a facile single-step, one-pot solvothermal method in the presence of iron salt. The CrVI photoreduction data were fit to a pseudo-first-order kinetic model and a Langmuir model. The CuS/Cu2S NP reduction ability for

  在这项研究中，研究了 Fe 掺杂的硫化铜纳米粒子 (NPs) 用于太阳能辅助还原原水中的 Cr VI离子。Fe 掺杂的纳米粒子是通过在铁盐存在下通过简单的一步一锅溶剂热法分解铜 ( II ) N , N-二苯基甲基哌嗪氨基甲二硫酸盐来合成的。Cr VI光还原数据符合准一级动力学模型和 Langmuir 模型。Cr VI的 CuS/Cu 2 S NP 还原能力随着掺杂剂百分比的增加而增加。最好的催化剂（9% Fe 掺杂）能够还原 Cr VI（10 -4 MK2 Cr 2 O 7 ) 在原水中使用 10 mg 的初始量在 6 分钟内还原为 Cr III，还原效率高达 100%。在改变五个不同参数的同时检查光催化活性：阳光、漫射光、pH 变化以及催化剂浓度和温度的变化。这种新方法为废水处理提供了一种积极、简单且具有成本效益的方法。
• Crystallographic and magnetic properties of iron sulfides doped with 3d-transition metals
  作者：Eng Chan Kim

  DOI：10.1016/j.jpcs.2007.10.033

  日期：2008.5

  3d-transition metal impurities profoundly affect both the crystallographic and spin-rotation transitions of iron sulfide. It is noteworthy that both V 0.025 Fe 0.975 S and Co 0.025 Fe 0.975 S have Morin transition temperatures T M which are distinctly different from that of FeS. Furthermore, the directions of changes of T M are opposite for V 0.025 Fe 0.975 S and Co 0.025 Fe 0.975 S. A vanadium impurity of 2.5%

  摘要 通过 Mossbauer 对 M 0.025 Fe 0.975 S (M=Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu) 的测量发现，3d 过渡金属杂质对晶体学和自旋旋转都有深远的影响。硫化铁的转变。值得注意的是，V 0.025 Fe 0.975 S 和 Co 0.025 Fe 0.975 S 都具有与 FeS 明显不同的莫林转变温度 TM。此外，V 0.025 Fe 0.975 S 和 Co 0.025 Fe 0.975 S 的 TM 变化方向相反。 硫化铁中 2.5% 金属原子的钒杂质使结晶转变在狭窄的温度范围内迅速发生约 15 K，而 FeS 中的 α 转变发生在约 200 K 的宽温度范围内。还发现 V 0.025 Fe 0.975 S 的 α 转变具有 5 K 的滞后宽度。非常有趣的是，晶体转变与晶格参数无关，而自旋-旋转转变则取决于它们。本研究的目的是报告
• Synthesis and property evaluation of CuFeS2−x as earth-abundant and environmentally-friendly thermoelectric materials
  作者：Jianhui Li、Qing Tan、Jing-Feng Li

  DOI：10.1016/j.jallcom.2012.09.067

  日期：2013.2

  CuFeS2 alloys composed of common and non-toxic elements were synthesized by combining mechanical alloying (MA) and spark plasma sintering (SPS). The CuFeS2 compound powders were synthesized directly by MA process, which were then spark plasma sintered to bulk materials. It was found that S content in the bulk samples became deficient depending on the fabrication conditions, and the ZT value improved slightly with decreasing S content. Under the optimized condition, CuFeS2-x (0 <= x <= 0.25) samples were prepared to investigate the effect of S deficiency on the thermoelectric properties. The electrical resistivity and thermal conductivity decreased gradually with decreasing S content, resulting in a maximum ZT value of 0.21 at 573 K for the sample CuFeS1.80. (C) 2012 Elsevier B.V. All rights reserved.
• Magnetic properties of iron sulfides doped with 3d transition-metals studied by Mo˝ssbauer spectroscopy
  作者：Hyo Duk Nam、Eng Chan Kim、Sung Hyun Lee、Jong Soo Han

  DOI：10.1016/j.physb.2005.02.002

  日期：2005.5

  It is found by Mossbauer measurements on M0.025Fe0.975S (M = Se, Ti, V, Cr, Mn, Co, Ni, Cu) that the 3d transition-metal impurities influence the spin reorientation transitions of iron sulfide. It is noteworthy that both V0.025Fe0.975S and Co0.025Fe0.975S have Morin transition temperatures T-M which are distinctly different from that of FeS; furthermore, the directions of the T-M changes are opposite for V0.025Fe0.975S and Co0.025Fe0.975S. However, it is found that both the Neel temperature T-N and the alpha-transition temperature T alpha are almost unaffected by the 3d transition-metal impurities. A vanadium impurity of 2.5% of the metal atoms in the iron sulfide makes the crystallographic transition take place rapidly in a narrow temperature region of about 15 K, while the alpha transition in FeS takes place over a wide temperature range of about 200 K. It is also found that the alpha transition for V0.025Fe0.975S has a hysteresis width of 5 K. (c) 2005 Elsevier B.V. All rights reserved.
• Mo¨ssbauer study of iron sulfides doped with 3d-transition metals
  作者：Hyo Duk Nam、Eng Chan Kim、Jong Soo Han

  DOI：10.1016/j.ssc.2005.05.003

  日期：2005.8

  It is found by Mossbauer measurements on M0.025Fe0.975S (M=Sc, Ti, V, Cr, Mn, Co, Ni, Cu) that the 3d-transition metal impurities profoundly affect both the crystallographic and spin rotation transitions of iron sulfide.It is noteworthy that both V0.025Fe0.975S and Co0.025Fe0.975S have Morin transition temperatures T-M which are distinctly different from that of FeS; furthermore, the directions of changes of T-M are opposite for V0.025Fe0.975S and Co0.025Fe0.975S.A vanadium impurity of 2.5% of the metal atoms in the iron sulfide makes the crystallographic transition take place rapidly in a narrow temperature region of about 15 K, while the a transition in FeS takes place over a wide temperature range of about 200 K.It is also found that the a transition for V0.025Fe0.975S has a hysteresis width of 5 K. (c) 2005 Elsevier Ltd. All rights reserved.