二矽化钽 | 12039-79-1

• 物质功能分类: 无机化工 - 无机盐 - 硅化物及硅酸盐
• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 类金属盐
• 中文名称: 二矽化钽
• 中文别名: 硅化钽；二硅化钽
• CAS: 12039-79-1
• 化学式: Si2Ta
• 分子量: 237.12
• InChiKey: MANYRMJQFFSZKJ-UHFFFAOYSA-N

物化性质

• 熔点：
  2200°C
• 密度：
  9,14 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  -0.76
• 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：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• TSCA：
  Yes
• 安全说明：
  S22
• WGK Germany：
  3

SDS

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Section 1: Product Identification
Chemical Name: Tantalum silicide (99.5%-Ta)
CAS Registry Number: 12039-79-1
Formula: TaSi2
EINECS Number: 234-902-2
Chemical Family: metal silicide
Synonym: Tantalum disilicide

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Section 2: Composition and Information on Ingredients
Ingredient CAS Number Percent ACGIH (TWA) OSHA (PEL)
Title compound 12039-79-1 100% 10mg/m3(Ta) 5mg/m3(Ta)

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Section 3: Hazards Identification
Emergency Overview: May be irritating to skin, eyes and mucous membranes.
Primary Routes of Exposure: Ingestion, inhalation.
Eye Contact: May cause slight to mild irritation of the eyes.
Skin Contact: May cause slight to mild irritation of the skin.
Inhalation: Do not breathe dust. Dust may be irritating to the nose, mucous membranes and respiratory tract.
Ingestion: No information is available on the physiological effects of ingestion.
Acute Health Affects: Dust may be irritating to the nose, mucous membranes and respiratory tract.
Chronic Health Affects: No information available on long-term chronic effects.
NTP: No
IARC: No
OSHA: No

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SECTION 4: First Aid Measures
Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need
Eye Exposure:
assistance in keeping their eye lids open. Get immediate medical attention.
Wash the affected area with water. Remove contaminated clothes if necessary. Seek medical assistance if
Skin Exposure:
irritation persists.
Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty in
Inhalation:
breathing, coughing, wheezing or pain. In such cases seek immediate medical assistance.
Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce
Ingestion:
vomiting only if directed by medical personnel.

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SECTION 5: Fire Fighting Measures
Flash Point: no data
Autoignition Temperature: no data
Explosion Limits: no data
Extinguishing Medium: dry chemical, carbon dioxide, or foam.
If this product is involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure
Special Fire Fighting Procedures:
self-contained breathing apparatus and full protective clothing.
Hazardous Combustion and If involved in a fire this material may emit irritating dusts.
Decomposion Products:
Unusual Fire or Explosion Hazards: No unusual fire or explosion hazard.

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SECTION 6: Accidental Release Measures
Spill and Leak Procedures: Sweep up the material and dispose of properly.

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SECTION 7: Handling and Storage
Handling and Storage: Store the material in a sealed container.

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SECTION 8: Exposure Controls and Personal Protection
Eye Protection: Always wear approved safety glasses when handling a chemical substance in the laboratory.
Skin Protection: Wear appropriate chemical resistant gloves and protective clothing.
Ventilation: Material may form a fine dust. If possible, handle the material in an efficient fume hood.
If in form of fine dust and ventilation is not available a respirator should be worn. The use of respirators
Respirator:
requires a Respirator Protection Program to be in compliance with 29 CFR 1910.134.
Ventilation: Material may form a fine dust. If possible, handle the material in an efficient fume hood.
Additional Protection: No additional protection required.

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SECTION 9: Physical and Chemical Properties
Color and Form: -325 mesh gray pwdr. (avg. 10 microns or less)
Molecular Weight: 237.12
Melting Point: 2200°
Boiling Point: no data
Vapor Pressure: not applicable
Specific Gravity: 9.14
Odor: none
Solubility in Water: insoluble

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SECTION 10: Stability and Reactivity
Stability: air and moisture stable
Hazardous Polymerization: No hazardous polymerization.
Conditions to Avoid: formation of a fine dust
Incompatibility: mineral acids
Decomposition Products: none

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SECTION 11: Toxicological Information
RTECS Data: No information available in the RTECS files.
Carcinogenic Effects: no data
Mutagenic Effects: no data
Tetratogenic Effects: no data

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SECTION 12: Ecological Information
Ecological Information: No information available

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SECTION 13: Disposal Considerations
Disposal: Dispose of according to local, state and federal regulations.

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SECTION 14: Transportation
Shipping Name (CFR): Non-hazardous
Hazard Class (CFR): NA
Additional Hazard Class (CFR): NA
Packaging Group (CFR): NA
UN ID Number (CFR): NA
Shipping Name (IATA): Non-hazardous
Hazard Class (IATA): NA
Additional Hazard Class (IATA): NA
Packaging Group (IATA): NA
UN ID Number (IATA): NA

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SECTION 15: Regulatory Information
TSCA: Listed in the TSCA inventory.
SARA (Title 313): Title compound not listed.
Second Ingredient: none

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

概述

金属硅化物拥有类似于金属的导电性能、高温性能、抗氧化性能以及与硅集成电路生产工艺的兼容性。过渡金属硅化物适用于低电阻栅门和内连线、肖特基栅、电阻接触。制备硅化钽的方法包括燃烧合成法（combustion synthesis，CS）、自蔓延高温合成法或电弧熔炼法等。

燃烧合成法或自蔓延高温合成法是一种利用元素/化合物反应放热来合成金属间化合物的方法。该方法设备简单、能耗低且合成时间短，但反应速度快、过程控制难度大，容易存在杂相。硅化钽的燃烧合成需要预热才能引发反应实现合成，但通常会生成二硅化物以外的相。

电弧熔炼法则需要较长的均匀化时间，在熔炼过程中由于挥发可能导致硅损失，从而产生一些杂相。

等离子体喷涂技术因其射流温度高达10000℃、射流速度达300-400m/s，集高温熔化、快速凝固和近净成形等多种优势于一体，并不受形状或尺寸限制。因此，该技术逐渐发展成为一种新型的零部件成形技术，被广泛用于制备各种零部件。

利用等离子喷涂技术可以将硅化钽粉制成块材，但需要高纯度的硅化钽粉末作为原料。获得高纯度且没有杂相生成的硅化钽粉末是关键。

应用

硅化钽具有高熔点、低电阻率、抗腐蚀、抗氧化以及与硅、碳等基体材料良好的兼容性等优异性能，适用于栅材料、集成电路的连结线路、高温抗氧化涂层等领域。因此，在电热元件、高温结构部件和电子器件方面得到了广泛应用。

制备

TaSi2粉末的制备方法如下：

1. 将-500目硅粉和-300目钽粉按TaSi2化学计量比称重，确保使用高纯度的硅粉（如99.95%或99.99%）和钽粉。
2. 选用粒度更小的原料粉末以促进硅与钽之间的混合均匀。此处使用-300目和-500目的粉末是为了更好地使硅颗粒包围钽颗粒，有利于后续燃烧合成步骤中硅和钽之间接触反应。
3. 使用化学计量配比确保获得TaSi2相。

具体步骤如下：

1. 将-500目硅粉23.6克和-300目钽粉76.4克称重；加入占硅粉和钽粉总重量的0.5克NH4Cl粉末。
2. 对上述粉末进行球磨，球料比为8:1，球磨时间为12小时。
3. 将球磨后的粉末装入碳化硅坩埚中，在振动台上振实至相对密度约为40%。
4. 装有粉末的坩埚放入合成炉中抽真空并充入氩气，以每分钟20℃的速度升温至650℃，使用钨丝通电引燃硅化钽合成反应。
5. 冷却后用氧化锆球和罐破碎得到最终粉末产品。经X射线衍射（XRD）检测确认全部为TaSi2相。