Molybdenum and sulfur incorporation as oxyanion substitutional impurities in calcium carbonate minerals: A computational investigation

Marked increases in sulfur and molybdenum concentration in stalagmites have been proposed as possible evidence of volcanic activity in the past. Thus, speleothems have great potential to deliver long and continuous records of volcanic activity. However, little is known about the chemical nature of these impurities in the calcium carbonate (CaCO3) phases forming stalagmites, which hinders the rationalization of the incorporation mechanisms. While...