Au(CN)2- adsorption on graphite(0001)A first-principles study

来源 :第九届国际分子模拟与信息技术应用学术会议(ICMS&I2018) | 被引量 : 0次 | 上传用户:qingkonglanglang
下载到本地 , 更方便阅读
声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架
论文部分内容阅读
  Gold is mainly in the form of Au(CN)2-during the cyanide leaching process,the Au(CN)2-complex could be adsorbed by graphite resulting in the loss of gold.In order to clarify the adsorption mechanism between the Au(CN)2-and graphite,the interaction between Au(CN)2-and graphite(0001)surface was studied by DFT calculation.
其他文献
  The potassium channel Kv 1.3 plays a vital part in the activation of T lymphocytes and is an attractive pharmacological target for autoimmune diseases.BmP02
会议
  Quantum mechanical approaches for the massive computation on large biological system such as virtual screening in drug design and development have presented
会议
  煤在应力作用下能否发生化学变化,即煤尤其是无烟煤在低温条件下(即低于热解温度)能否因应力作用而产生气体或生烃是倍受关注的科学问题。传统观点认为,力的作用只能引起煤
会议
  When feeding enzymes are consumed by livestock and poultry,the stomach is the first organ to come in contact with those enzymes.As a result,the feeding enzy
  CO oxidative coupling to dimethyl oxalate (DMO) is the crucial step in coal to ethylene glycol (CTEG) [1].Palladium (Pd) catalysts have been proved to be ef
  The vapor-liquid equilibrium(VLE)for the system acetic acid,acetaldehyde and crotonaldehyde was investigated by combining the Gibbs ensemble Monte Carlo(GEM
会议
  In this work,we performed period Density Functional Theory calculations to explore reactive pathways of ethanol to catalytically form 1,3-butadiene on ZrO2
  纤维素和淀粉类手性固定相(chiral stationary phase,CSP)是目前应用最广泛的多糖类CSP1,2.壳聚糖是甲壳素脱乙酰后的产物,有着与纤维素类似的高级结构.目前,关于壳聚糖
  催化剂是煤间接液化费托合成的核心技术,铁基催化剂价格低廉、温度和氢碳操作空间大[1,2],并成功应用于工业煤基费托合成中,其结构和性能的关系对工业化推进具有重要意义
  The Ca element in fluorapatite(Ca10F2(PO4)6)is often replaced by rare earth elements(REEs),such as lanthanum(La)and yttrium(Y),which makes the phosphate ore